(trans,trans)-4-(1E)-1-Propen-1-yl-4'-propyl-1,1'-bicyclohexyl supplier

Name
TRANS,TRANS-4-PROPENYL-4''-PROPYL-BICYCLOHEXYL
EINECS
CAS No. 279246-65-0
Density 0.898 g/cm³
Solubility
Melting Point 43.0 to 47.0 °C
Formula C₁₈H₃₂
Boiling Point 325.041 °C at 760 mmHg
Molecular Weight 248.451
Flash Point 142.203 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,1'-Bicyclohexyl,4-(1E)-1-propenyl-4'-propyl-, (trans,trans)- (9CI);CC 3V1;(E)-4-(prop-1-enyl)-4'-propylbi(cyclohexane);(trans,trans)-4-(1E)-1-Propen-1-yl-4'-propyl-1,1'-bicyclohexyl;
PSA 0.00000
LogP 5.97540

(trans,trans)-4-(1E)-1-Propen-1-yl-4'-propyl-1,1'-bicyclohexyl Specification

The CAS register number of 1,1'-Bicyclohexyl,4-(1E)-1-propen-1-yl-4'-propyl-, (trans,trans)- is 279246-65-0. It also can be called as (E)-4-(prop-1-enyl)-4'-propylbi(cyclohexane) and the systematic name about this chemical is 1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane. The molecular formula about this chemical is C₁₈H₃₂ and the molecular weight is 248.451.

Physical properties about 1,1'-Bicyclohexyl,4-(1E)-1-propen-1-yl-4'-propyl-, (trans,trans)- are: (1)ACD/LogP: 8.37; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.37; (4)ACD/LogD (pH 7.4): 8.37; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 851879.063; (8)ACD/KOC (pH 7.4): 851879.063; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.513; (11)Molar Refractivity: 83.09 cm³; (12)Molar Volume: 276.523 cm³; (13)Polarizability: 32.939x10^-24cm³; (14)Surface Tension: 33.103 dyne/cm; (15)Density: 0.898 g/cm³; (16)Flash Point: 142.203 °C; (17)Enthalpy of Vaporization: 54.458 kJ/mol; (18)Boiling Point: 325.041 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CCC[C@H]1CC[C@@H](CC1)[C@H]2CC[C@@H](CC2)/C=C/C
(2)InChI: InChI=1/C18H32/c1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18/h3,5,15-18H,4,6-14H2,1-2H3/b5-3+/t15-,16-,17-,18-
(3)InChIKey: IASLDLGGHXYCEO-NWYLIVIOBS
(4)Std. InChI: InChI=1S/C18H32/c1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18/h3,5,15-18H,4,6-14H2,1-2H3/b5-3+/t15-,16-,17-,18-
(5)Std. InChIKey: IASLDLGGHXYCEO-NWYLIVIOSA-N

Product Name

TRANS,TRANS-4-PROPENYL-4''-PROPYL-BICYCLOHEXYL

(trans,trans)-4-(1E)-1-Propen-1-yl-4'-propyl-1,1'-bicyclohexyl Specification

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