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20053-88-7

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Basic Information
CAS No.: 20053-88-7
Name: Hotrienol
Molecular Structure:
Molecular Structure of 20053-88-7 (Hotrienol)
Formula: C10H16O
Molecular Weight: 152.236
Synonyms: 1,5,7-Octatrien-3-ol,3,7-dimethyl-, (E)-(R)-(-)- (8CI);1,5,7-Octatrien-3-ol, 3,7-dimethyl-,[R-(E)]-;(-)-trans-Khotrienol;Hotrienol;Hotrienol, trans-(-)-;trans-(-)-Hotrienol;
EINECS: 258-818-0
Density: 0.871g/cm3
Boiling Point: 228.4 °C at 760 mmHg
Flash Point: 89 °C
PSA: 20.23000
LogP: 2.44580
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Specification

The Hotrienol, with CAS registry number 20053-88-7, belongs to the following product categorie: Aliphatics. It has the systematic name of (5E)-3,7-dimethylocta-1,5,7-trien-3-ol. And its IUPAC name is (5E)-3,5-dimethylocta-1,5,7-trien-3-ol. Besides this, it is also called 1,5,7-octatrien-3-ol, 3,7-dimethyl-, (5E)-.

Physical properties about this chemical are: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.475; (8)Molar Refractivity: 49.22 cm3; (9)Molar Volume: 174.7 cm3; (10)Polarizability: 19.51×10-24cm3; (11)Surface Tension: 28.3 dyne/cm; (12)Enthalpy of Vaporization: 54.05 kJ/mol; (13)Vapour Pressure: 0.0143 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(/C=C)(C)C\C=C\C(=C)C
(2)InChI: InChI=1/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h5-7,11H,1-2,8H2,3-4H3/b7-6+
(3)InChIKey: ZJIQIJIQBTVTDY-VOTSOKGWBM
(4)Std. InChI: InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h5-7,11H,1-2,8H2,3-4H3/b7-6+
(5)Std. InChIKey: ZJIQIJIQBTVTDY-VOTSOKGWSA-N