Basic Information | Post buying leads | Suppliers | Cas Database |
The 2-Octen-4-ol, (2Z)-, with the CAS registry number 22287-00-9, is also known as cis-2-Octen-4-ol. Its EINECS number is 244-893-7. This chemical's molecular formula is C8H16O and molecular weight is 128.21. What's more, its systematic name is (2Z)-oct-2-en-4-ol.
Physical properties of 2-Octen-4-ol, (2Z)- are: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.63; (4)ACD/BCF (pH 5.5): 59.09; (5)ACD/KOC (pH 5.5): 645.14; (6)#H bond acceptors: 1; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 9.23 Å2; (10)Index of Refraction: 1.447; (11)Molar Refractivity: 40.66 cm3; (12)Molar Volume: 152 cm3; (13)Surface Tension: 28.6 dyne/cm; (14)Density: 0.843 g/cm3; (15)Flash Point: 63.4 °C; (16)Enthalpy of Vaporization: 47.89 kJ/mol; (17)Boiling Point: 175 °C at 760 mmHg; (18)Vapour Pressure: 0.362 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(\C=C/C)CCCC
(2)InChI: InChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h4,6,8-9H,3,5,7H2,1-2H3/b6-4-
(3)InChIKey: WGDUEFYADBRNKG-XQRVVYSFSA-N