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CAS No.: | 81782-77-6 |
---|---|
Name: | 4-Methyl-3-decen-5-ol |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C11H22O |
Molecular Weight: | 170.295 |
Synonyms: | (3E)-4-methyldec-3-en-5-ol;(E)-4-methyldec-3-en-5-ol; |
EINECS: | 279-815-0 |
Density: | 0.845 g/cm3 |
Boiling Point: | 232.9 °C at 760 mmHg |
Flash Point: | 100 °C |
Solubility: | 63mg/L at 20℃ |
PSA: | 20.23000 |
LogP: | 3.28390 |
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The 4-Methyl-3-decen-5-ol, with the CAS registry number 81782-77-6 and EINECS registry number 279-815-0, has the systematic name of (3E)-4-methyldec-3-en-5-ol. And the molecular formula of the chemical is C11H22O.
The characteristics of this chemical are as followings: (1)ACD/LogP: 4.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.25; (4)ACD/LogD (pH 7.4): 4.25; (5)ACD/BCF (pH 5.5): 997.35; (6)ACD/BCF (pH 7.4): 997.35; (7)ACD/KOC (pH 5.5): 4877.26; (8)ACD/KOC (pH 7.4): 4877.26; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 54.4 cm3; (15)Molar Volume: 201.4 cm3; (16)Polarizability: 21.56×10-24cm3; (17)Surface Tension: 28.9 dyne/cm; (18)Density: 0.845 g/cm3; (19)Flash Point: 100 °C; (20)Enthalpy of Vaporization: 54.59 kJ/mol; (21)Boiling Point: 232.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0107 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(/C(=C/CC)C)CCCCC
(2)InChI: InChI=1/C11H22O/c1-4-6-7-9-11(12)10(3)8-5-2/h8,11-12H,4-7,9H2,1-3H3/b10-8+
(3)InChIKey: WSTQLNQRVZNEDV-CSKARUKUBK