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Cyclohexanemethanol,2-hydroxy-a,a,4-trimethyl- (42822-86-6)

Identification
Name:Cyclohexanemethanol,2-hydroxy-a,a,4-trimethyl-
Synonyms:p-Menthane-3,8-diol(7CI);1-Hydroxy-2-(1-methyl-1-hydroxyethyl)-5-methylcyclohexane;1-Hydroxy-5-methyl-2-(1-methyl-1-hydroxyethyl)cyclohexane;3,8-p-Menthanediol;Geranium cyclohexane;Geranodyle;
CAS:42822-86-6
EINECS: 255-953-7
Molecular Formula: C10H20O2
Molecular Weight: 172.26
InChI: InChI=1/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3
Molecular Structure: (C10H20O2) p-Menthane-3,8-diol(7CI);1-Hydroxy-2-(1-methyl-1-hydroxyethyl)-5-methylcyclohexane;1-Hydroxy-5-methy...
Properties
Density:1.009 g/cm3
Refractive index:1.486
Specification:

The p-Menthane-3,8-diol with the CAS number 42822-86-6 is also called Cyclohexanemethanol,2-hydroxy-a,a,4-trimethyl-. The IUPAC name is 2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol. Its molecular formula is C10H20O2. The EINECS registry number is 255-953-7.

The properties of the p-Menthane-3,8-diol are: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): 1.37; (5)ACD/BCF (pH 5.5): 6.51; (6)ACD/BCF (pH 7.4): 6.51; (7)ACD/KOC (pH 5.5): 133.11; (8)ACD/KOC (pH 7.4): 133.11; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 49.06 cm3; (15)Molar Volume: 170.6 cm3; (16)Polarizability: 19.45×10-24cm3; (17)Surface Tension: 38.5 dyne/cm; (18)Enthalpy of Vaporization: 58.71 kJ/mol; (19)Vapour Pressure: 0.00109 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(C1CCC(CC1O)C)(C)C
(2)InChI: InChI=1/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3
(3)InChIKey: LMXFTMYMHGYJEI-UHFFFAOYAL

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