The (S)-Methyl 2-hydroxy-3-methylbutanoate, with CAS registry number 24347-63-5, has the systematic name of methyl (2S)-2-hydroxy-3-methylbutanoate. Besides this, it is also called butanoic acid, 2-hydroxy-3-methyl-, methyl ester, (2S)-. And the chemical formula of this chemical is C6H12O3.
Physical properties of (S)-Methyl 2-hydroxy-3-methylbutanoate: (1)ACD/LogP: 0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.16; (4)ACD/LogD (pH 7.4): 0.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.1; (8)ACD/KOC (pH 7.4): 29.1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.425; (14)Molar Refractivity: 33.07 cm3; (15)Molar Volume: 129.3 cm3; (16)Polarizability: 13.11×10-24cm3; (17)Surface Tension: 31.8 dyne/cm; (18)Enthalpy of Vaporization: 46.82 kJ/mol; (19)Vapour Pressure: 0.622 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)[C@@H](O)C(C)C
(2)InChI: InChI=1/C6H12O3/c1-4(2)5(7)6(8)9-3/h4-5,7H,1-3H3/t5-/m0/s1
(3)InChIKey: YSGBMDFJWFIEDF-YFKPBYRVBE
(4)Std. InChI: InChI=1S/C6H12O3/c1-4(2)5(7)6(8)9-3/h4-5,7H,1-3H3/t5-/m0/s1
(5)Std. InChIKey: YSGBMDFJWFIEDF-YFKPBYRVSA-N
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