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CAS No.: | 114096-03-6 |
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Name: | (E)-3-Cyclohexyl-2-propen-1-ol |
Article Data: | 56 |
Molecular Structure: | |
Formula: | C9H16O |
Molecular Weight: | 140.225 |
Synonyms: | 2-Propen-1-ol,3-cyclohexyl-, (E)-;(2E)-3-Cyclohexylprop-2-en-1-ol;(E)-3-Cyclohexyl-2-propen-1-ol;(E)-3-Cyclohexylprop-2-enol; |
Density: | 1.003 g/cm3 |
Boiling Point: | 221.482 °C at 760 mmHg |
Flash Point: | 97.517 °C |
PSA: | 20.23000 |
LogP: | 2.11520 |
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This chemical is called (E)-3-Cyclohexyl-2-propen-1-ol, and its systematic name is (2E)-3-cyclohexylprop-2-en-1-ol. With the molecular formula of C9H16O, its molecular weight is 140.22. The CAS registry number of this chemical is 114096-03-6.
Other characteristics of the (E)-3-Cyclohexyl-2-propen-1-ol can be summarised as followings: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 73; (6)ACD/BCF (pH 7.4): 73; (7)ACD/KOC (pH 5.5): 748; (8)ACD/KOC (pH 7.4): 748; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 44.951 cm3; (15)Molar Volume: 139.846 cm3; (16)Polarizability: 17.82×10-24cm3; (17)Surface Tension: 39.115 dyne/cm; (18)Density: 1.003 g/cm3; (19)Flash Point: 97.517 °C; (20)Enthalpy of Vaporization: 53.248 kJ/mol; (21)Boiling Point: 221.482 °C at 760 mmHg; (22)Vapour Pressure: 0.022 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OC/C=C/C1CCCCC1
2.InChI: InChI=1/C9H16O/c10-8-4-7-9-5-2-1-3-6-9/h4,7,9-10H,1-3,5-6,8H2/b7-4+
3.InChIKey: VKSIYNNFGTVYJU-QPJJXVBHBA