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Keywords
(+)-Alismoxide Alismoxide (1S,3aR,4R,8aS)-1,2,3,3a,4,5,6,8a-Octahydro-1,4-dimethyl-7-(1-methylethyl)-1,4-azulenediol
Quick Details
- Appearance:
- Application:The CAS register number of Alismoxide is 87701-68-6. It also can be called as 1,4-Azulenediol,1,2,3,3a,4,5,6,8a-octahydro-1,4-dimethyl-7-(1-methylethyl)-, (1S,3aR,4R,8aS)- and the systematic name abou
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- Transportation:The CAS register number of Alismoxide is 87701-68-6. It also can be called as 1,4-Azulenediol,1,2,3,3a,4,5,6,8a-octahydro-1,4-dimethyl-7-(1-methylethyl)-, (1S,3aR,4R,8aS)- and the systematic name abou
Superiority:
The CAS register number of Alismoxide is 87701-68-6. It also can be called as 1,4-Azulenediol,1,2,3,3a,4,5,6,8a-octahydro-1,4-dimethyl-7-(1-methylethyl)-, (1S,3aR,4R,8aS)- and the systematic name about this chemical is (1S,3aR,4R,8aS)-7-isopropyl-1,4-dimethyl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol. The molecular formula about this chemical is C15H26O2 and the molecular weight is 238.37.
Physical properties about Alismoxide are: (1)ACD/LogP: 2.95; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 236; (5)ACD/BCF (pH 7.4): 236; (6)ACD/KOC (pH 5.5): 1736; (7)ACD/KOC (pH 7.4): 1736; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 40.46Å2; (12)Index of Refraction: 1.514; (13)Molar Refractivity: 70.042 cm3; (14)Molar Volume: 232.642 cm3; (15)Polarizability: 27.767x10-24cm3; (16)Surface Tension: 37.627 dyne/cm; (17)Enthalpy of Vaporization: 67.997 kJ/mol; (18)Boiling Point: 343.228 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)C1=CC2C(CCC2(C)O)C(CC1)(C)O
(2)InChI: InChI=1/C15H26O2/c1-10(2)11-5-7-14(3,16)12-6-8-15(4,17)13(12)9-11/h9-10,12-13,16-17H,5-8H2,1-4H3/t12-,13+,14-,15+/m1/s1
(3)InChIKey: IWQURBSTAIRNAE-BARDWOONBF
(4)Std. InChI: InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3,16)12-6-8-15(4,17)13(12)9-11/h9-10,12-13,16-17H,5-8H2,1-4H3/t12-,13+,14-,15+/m1/s1
(5)Std. InChIKey: IWQURBSTAIRNAE-BARDWOONSA-N
Details:
The CAS register number of Alismoxide is 87701-68-6. It also can be called as 1,4-Azulenediol,1,2,3,3a,4,5,6,8a-octahydro-1,4-dimethyl-7-(1-methylethyl)-, (1S,3aR,4R,8aS)- and the systematic name about this chemical is (1S,3aR,4R,8aS)-7-isopropyl-1,4-dimethyl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol. The molecular formula about this chemical is C15H26O2 and the molecular weight is 238.37.
Physical properties about Alismoxide are: (1)ACD/LogP: 2.95; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 236; (5)ACD/BCF (pH 7.4): 236; (6)ACD/KOC (pH 5.5): 1736; (7)ACD/KOC (pH 7.4): 1736; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 40.46Å2; (12)Index of Refraction: 1.514; (13)Molar Refractivity: 70.042 cm3; (14)Molar Volume: 232.642 cm3; (15)Polarizability: 27.767x10-24cm3; (16)Surface Tension: 37.627 dyne/cm; (17)Enthalpy of Vaporization: 67.997 kJ/mol; (18)Boiling Point: 343.228 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)C1=CC2C(CCC2(C)O)C(CC1)(C)O
(2)InChI: InChI=1/C15H26O2/c1-10(2)11-5-7-14(3,16)12-6-8-15(4,17)13(12)9-11/h9-10,12-13,16-17H,5-8H2,1-4H3/t12-,13+,14-,15+/m1/s1
(3)InChIKey: IWQURBSTAIRNAE-BARDWOONBF
(4)Std. InChI: InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3,16)12-6-8-15(4,17)13(12)9-11/h9-10,12-13,16-17H,5-8H2,1-4H3/t12-,13+,14-,15+/m1/s1
(5)Std. InChIKey: IWQURBSTAIRNAE-BARDWOONSA-N
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