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61792-55-0

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Basic Information
CAS No.: 61792-55-0
Name: 2-Isopropylidene-2-methylhex-4-enyl acetate, dihydro derivative
Molecular Structure:
Molecular Structure of 61792-55-0 (2-Isopropylidene-2-methylhex-4-enyl acetate, dihydro derivative)
Formula: C12H22O2
Molecular Weight: 198.30
Synonyms: 4-Hexen-1-ol, 5-methyl-2-(1-methylethylidene)-, acetate, dihydro derivative;
EINECS: 263-228-1
Density: 0.886 g/cm3
Boiling Point: 251.9 °C at 760 mmHg
Flash Point: 83.7 °C
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Specification

The 2-Isopropylidene-2-methylhex-4-enyl acetate, dihydro derivative with the CAS registry number 61792-55-0, is also known as 4-Hexen-1-ol, 5-methyl-2-(1-methylethylidene)-, acetate, dihydro derivative. Its EINECS number is 263-228-1. This chemical's molecular formula is C12H22O2 and molecular weight is 198.30. What's more, its systematic name is 5-Methyl-2-(propan-2-ylidene)hexyl acetate. 

Physical properties of 2-Isopropylidene-2-methylhex-4-enyl acetate, dihydro derivative are: (1)ACD/LogP: 4.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.56; (4)ACD/LogD (pH 7.4): 4.56; (5)ACD/BCF (pH 5.5): 1729.2; (6)ACD/BCF (pH 7.4): 1729.2; (7)ACD/KOC (pH 5.5): 7231.83; (8)ACD/KOC (pH 7.4): 7231.83; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.441; (14)Molar Refractivity: 59.12 cm3; (15)Molar Volume: 223.6 cm3; (16)Polarizability: 23.43×10-24cm3; (17)Surface Tension: 27.2 dyne/cm; (18)Density: 0.886 g/cm3; (19)Flash Point: 83.7 °C; (20)Enthalpy of Vaporization: 48.93 kJ/mol; (21)Boiling Point: 251.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0199 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(=C(/C)C)\CCC(C)C)C
(2)Std. InChI: InChI=1S/C12H22O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h9H,6-8H2,1-5H3
(3)Std. InChIKey: BKMLPORNNFVXMA-UHFFFAOYSA-N