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123551-47-3

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Basic Information
CAS No.: 123551-47-3
Name: (E,Z)-2,13-OCTADECADIENOL
Article Data: 13
Molecular Structure:
Molecular Structure of 123551-47-3 ((E,Z)-2,13-OCTADECADIENOL)
Formula: C18H34O
Molecular Weight: 266.462
Synonyms: (2E,13Z)-octadeca-2,13-dien-1-ol;
Density: 0.858 g/cm3
Boiling Point: 363.7 °C at 760 mmHg
Flash Point: 118.4 °C
PSA: 20.23000
LogP: 5.79220
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Specification

The 2,13-Octadecadien-1-ol, (2E,13Z)-, with the CAS registry number 123551-47-3, is also known as (E,Z)-2,13-Octadecadienol. This chemical's molecular formula is C18H34O and molecular weight is 266.462. Its systematic name is called (2E,13Z)-octadeca-2,13-dien-1-ol.

Physical properties of 2,13-Octadecadien-1-ol, (2E,13Z)-: (1)ACD/LogP: 7.61; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.61; (4)ACD/LogD (pH 7.4): 7.61; (5)ACD/BCF (pH 5.5): 359481.44; (6)ACD/BCF (pH 7.4): 359481.44; (7)ACD/KOC (pH 5.5): 329857.44; (8)ACD/KOC (pH 7.4): 329857.44; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 15; (12)Index of Refraction: 1.473; (13)Molar Refractivity: 87.09 cm3; (14)Molar Volume: 310.3 cm3; (15)Surface Tension: 32.2 dyne/cm; (16)Density: 0.858 g/cm3; (17)Flash Point: 118.4 °C; (18)Enthalpy of Vaporization: 70.57 kJ/mol; (19)Boiling Point: 363.7 °C at 760 mmHg; (20)Vapour Pressure: 9.25E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC/C=C/CCCCCCCCC\C=C/CCCC
(2)InChI: InChI=1/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,16-17,19H,2-4,7-15,18H2,1H3/b6-5-,17-16+
(3)InChIKey: YCOMGIOWVNOOBC-RAPDCGKPBP