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70092-45-4

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Basic Information
CAS No.: 70092-45-4
Name: 2-(decyloxy)cyclohexan-1-ol
Molecular Structure:
Molecular Structure of 70092-45-4 (2-(decyloxy)cyclohexan-1-ol)
Formula: C16H32O2
Molecular Weight: 256.429
Synonyms: 2-(Decyloxy)cyclohexanol;
EINECS: 274-312-2
Density: 0.92 g/cm3
Boiling Point: 335.4 °C at 760 mmHg
Flash Point: 121 °C
PSA: 29.46000
LogP: 4.44720
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Specification

The Cyclohexanol,2-(decyloxy)-, with the CAS registry number 70092-45-4, is also known as 2-(Decyloxy)cyclohexanol. Its EINECS registry number is 274-312-2. This chemical's molecular formula is C16H32O2 and molecular weight is 256.42408. Its IUPAC name is called 2-decoxycyclohexan-1-ol.

Physical properties of Cyclohexanol,2-(decyloxy)-: (1)ACD/LogP: 5.31; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.3; (4)ACD/LogD (pH 7.4): 5.3; (5)ACD/BCF (pH 5.5): 6332.07; (6)ACD/BCF (pH 7.4): 6332.07; (7)ACD/KOC (pH 5.5): 18312.08; (8)ACD/KOC (pH 7.4): 18312.08; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Index of Refraction: 1.467; (13)Molar Refractivity: 77.31 cm3; (14)Molar Volume: 278.5 cm3; (15)Surface Tension: 34.4 dyne/cm; (16)Density: 0.92 g/cm3; (17)Flash Point: 121 °C; (18)Enthalpy of Vaporization: 67.02 kJ/mol; (19)Boiling Point: 335.4 °C at 760 mmHg; (20)Vapour Pressure: 8.37E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCOC1CCCCC1O
(2)InChI: InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-11-14-18-16-13-10-9-12-15(16)17/h15-17H,2-14H2,1H3
(3)InChIKey: KVBCPXQQODIKLZ-UHFFFAOYSA-N