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CAS No.: | 13492-07-4 |
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Name: | (-)-TRANS-2-TERT-BUTYLCYCLOHEXANOL |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C10H20O |
Molecular Weight: | 156.268 |
Synonyms: | Cyclohexanol,2-(1,1-dimethylethyl)-, (1S-trans)-;Cyclohexanol, 2-tert-butyl-, trans-(+)-(8CI); |
Density: | 0.92 g/cm3 |
Boiling Point: | 206.9 °C at 760 mmHg |
Flash Point: | 79.4 °C |
PSA: | 20.23000 |
LogP: | 2.58360 |
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The Cyclohexanol,2-(1,1-dimethylethyl)-, (1S,2R)-, with CAS registry number 13492-07-4, has the systematic name of (1S,2R)-2-tert-butylcyclohexanol. Besides this, it is also called (-)-Trans-2-tert-butylcyclohexanol. And the chemical formula of this chemical is C10H20O.
Physical properties of Cyclohexanol,2-(1,1-dimethylethyl)-, (1S,2R)-: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.471; (8)Molar Refractivity: 47.45 cm3; (9)Molar Volume: 169.6 cm3; (10)Polarizability: 18.81×10-24cm3; (11)Surface Tension: 34.1 dyne/cm; (12)Density: 0.92 g/cm3; (13)Flash Point: 79.4 °C; (14)Enthalpy of Vaporization: 51.55 kJ/mol; (15)Boiling Point: 206.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0543 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H]1[C@@H](C(C)(C)C)CCCC1
(2)InChI: InChI=1/C10H20O/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3/t8-,9-/m0/s1
(3)InChIKey: DLTWBMHADAJAAZ-IUCAKERBBC
(4)Std. InChI: InChI=1S/C10H20O/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3/t8-,9-/m0/s1
(5)Std. InChIKey: DLTWBMHADAJAAZ-IUCAKERBSA-N