Name: ETHYL (1R,2S)-CIS-2-HYDROXYCYCLOHEXANECARBOXYLATE
SKU: 61586-78-5

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Basic Information

Molecular Structure:
CAS No.:	61586-78-5
Name:	ETHYL (1R,2S)-CIS-2-HYDROXYCYCLOHEXANECARBOXYLATE
Article Data:	48

Formula:	C₉H₁₆O₃
Molecular Weight:	172.224
Synonyms:	Cyclohexanecarboxylicacid, 2-hydroxy-, ethyl ester, (1R-cis)-;Ethyl (+)-(1R,2S)-2-hydroxycyclohexanecarboxylate;Ethyl (1R,2S)-(+)-2-hydroxycyclohexanecarboxylate;
Density:	1.093 g/cm³
Boiling Point:	251.4 °C at 760 mmHg
Flash Point:	100.2 °C
PSA:	46.53000
LogP:	1.10060

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Specification

The Cyclohexanecarboxylicacid, 2-hydroxy-, ethyl ester, (1R, 2S)-, with the CAS registry number of 61586-78-5, is also known as Ethyl (1R, 2S)-cis-2-hydroxycyclohexanecarboxylate and (1R, 2S)-cis-2-Hydroxycyclo-hexane carboxylic acid ethyl ester. It belongs to the product categories of Alcohols, Hydroxy Esters and Derivatives; Chiral Compounds; Chiral Building Blocks; Esters; Organic Building Blocks; Chiral Alcohols. This chemical's molecular formula is C₉H₁₆O₃ and molecular weight is 172.22. What's more, its systematic name is Ethyl (1R, 2S)-2-hydroxycyclohexanecarboxylate.

Physical properties about Cyclohexanecarboxylicacid, 2-hydroxy-, ethyl ester, (1R,2S)- are: (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.2; (4)ACD/LogD (pH 7.4): 1.2; (5)ACD/BCF (pH 5.5): 4.79; (6)ACD/BCF (pH 7.4): 4.79; (7)ACD/KOC (pH 5.5): 106.74; (8)ACD/KOC (pH 7.4): 106.74; (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: 1.481; (14)Molar Refractivity: 44.84 cm³; (15)Molar Volume: 157.5 cm³; (16)Polarizability: 17.77×10^-24 cm³; (17)Surface Tension: 41.2 dyne/cm; (18)Density: 1.093 g/cm³; (19)Flash Point: 100.2 °C; (20)Enthalpy of Vaporization: 56.78 kJ/mol; (21)Boiling Point: 251.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00322 mmHg at 25.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)[C@@H]1CCCC[C@@H]1O
(2) InChI: InChI=1/C9H16O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7-8,10H,2-6H2,1H3/t7-,8+/m1/s1
(3) InChIKey: WOGRTPJVNNCUKN-SFYZADRCBA