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Basic Information
CAS No.: 90464-78-1
Name: 2-Octenoic acid,4-ethyl-
Molecular Structure:
Molecular Structure of 90464-78-1 (2-Octenoic acid,4-ethyl-)
Formula: C10H18O2
Molecular Weight: 170.2487
Synonyms: (Z)-4-Ethyloct-2-enoic acid;
Density: 0.934 g/cm3
Boiling Point: 272.2 °C at 760 mmHg
Flash Point: 178.7 °C
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Specification

The 2-Octenoic acid, 4-ethyl-, (Z)-, with the CAS registry number of 90464-78-1, is also known as (2Z)-4-Ethyloct-2-enoic acid. This chemical's molecular formula is C10H18O2 and molecular weight is 170.2487. What's more, its IUPAC name is (Z)-4-Ethyloct-2-enoic acid.

Physical properties about 2-Octenoic acid, 4-ethyl-, (Z)- are: (1)ACD/LogP: 3.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.95; (4)ACD/LogD (pH 7.4): 1.15; (5)ACD/BCF (pH 5.5): 63.38; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 386.18; (8)ACD/KOC (pH 7.4): 6.12; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 49.95 cm3; (15)Molar Volume: 182.2 cm3; (16)Surface Tension: 32.8 dyne/cm; (17)Density: 0.934 g/cm3; (18)Flash Point: 178.7 °C; (19)Enthalpy of Vaporization: 56.18 kJ/mol; (20)Boiling Point: 272.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00172 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)\C=C/C(CCCC)CC
(2) InChI: InChI=1/C10H18O2/c1-3-5-6-9(4-2)7-8-10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)/b8-7-
(3) InChIKey: RTSYTZNKRVDRRT-FPLPWBNLBM