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5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol

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Name

5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol

EINECS N/A
CAS No. 83002-04-4 Density 1.026 g/cm3
PSA 60.69000 LogP 5.65730
Solubility DMSO: 15 mg/mL, soluble Melting Point 65-68 °C
Formula C24H40 O3 Boiling Point 494.4 °C at 760 mmHg
Molecular Weight 376.58 Flash Point 209.2 °C
Transport Information N/A Appearance solid
Safety S22;S24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 83002-04-4 (5-(1,1-DIMETHYLHEPTYL)-2-[5-HYDROXY-2-(3-HYDROXYPROPYL)CYCLOHEXYL]PHENOL) Hazard Symbols N/A
Synonyms

Phenol,5-(1,1-dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-, (1a,2b,5a)-(-)-;(-)-CP 55940;5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol;

Article Data 3

5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol Specification

The 5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol, with the CAS registry number 83002-04-4,is also known as CP-55940. It belongs to the product categories of Cannabinoid receptor. This chemical's molecular formula is C24H40O3 and molecular weight is 376.57.What's more,Its systematic name is 5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol.This chemical is hamfull to the health ,so when you use it,avoid contact with skin and eyes and do not breathe dust.

Physical properties about 5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol are:
(1)ACD/LogP:  6.198; (2)# of Rule of 5 Violations:  1; (3)ACD/LogD (pH 5.5):  6.20; (4)ACD/LogD (pH 7.4):  6.20; (5)ACD/BCF (pH 5.5):  30214.21; (6)ACD/BCF (pH 7.4):  30170.22; (7)ACD/KOC (pH 5.5):  56042.50; (8)ACD/KOC (pH 7.4):  55960.91; (9)#H bond acceptors:  3; (10)#H bond donors:  3; (11)#Freely Rotating Bonds:  13; (12)Index of Refraction:  1.526; (13)Molar Refractivity:  112.633 cm3; (14)Molar Volume:  366.86 cm3; (15)Surface Tension:  40.0610008239746 dyne/cm; (16)Density:  1.026 g/cm3; (17)Flash Point:  209.207 °C; (18)Enthalpy of Vaporization:  80.228 kJ/mol; (19)Boiling Point:  494.446 °C at 760 mmHg; (20)Vapour Pressure:  0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O[C@H]2C[C@@H](c1ccc(cc1O)C(C)(C)CCCCCC)[C@H](CCCO)CC2C;
(2)Std. InChI:InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1;
(3)Std. InChIKey:YNZFFALZMRAPHQ-SYYKKAFVSA-N.

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