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85391-69-1

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Basic Information
CAS No.: 85391-69-1
Name: 6-(phenylmethylene)-1,4-dioxaspiro[4.5]decane
Molecular Structure:
Molecular Structure of 85391-69-1 (6-(phenylmethylene)-1,4-dioxaspiro[4.5]decane)
Formula: C15H18O2
Molecular Weight: 230.30
Synonyms: 6-Benzylidene-1, 4-dioxaspiro[4.5]decane;
EINECS: 286-825-9
Density: 1.11 g/cm3
Boiling Point: 363.6 °C at 760 mmHg
Flash Point: 190.5 °C
PSA: 18.46000
LogP: 3.38710
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  • 6-(phenylmethylene)-1,4-dioxaspiro[4.5]decane

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Specification

The 1, 4-Dioxaspiro[4.5]decane, 6-(phenylmethylene)-, with the CAS registry number 85391-69-1, is also known as 6-(Phenylmethylene)-1, 4-dioxaspiro[4.5]decane. And its EINECS registry number is 286-825-9. This chemical's molecular formula is C15H18O2 and molecular weight is 230.30. What's more, its systematic name is 6-Benzylidene-1, 4-dioxaspiro[4.5]decane.

Physical properties about 1, 4-Dioxaspiro[4.5]decane, 6-(phenylmethylene)- are: (1)ACD/LogP: 3.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.24; (4)ACD/LogD (pH 7.4): 3.24; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 18.46 Å2; (9)Index of Refraction: 1.568; (10)Molar Refractivity: 67.51 cm3; (11)Molar Volume: 206.3 cm3; (12)Polarizability: 26.76×10-24 cm3; (13)Surface Tension: 42.2 dyne/cm; (14)Density: 1.11 g/cm3; (15)Flash Point: 190.5 °C; (16)Enthalpy of Vaporization: 58.57 kJ/mol; (17)Boiling Point: 363.6 °C at 760 mmHg; (18)Vapour Pressure: 3.72E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C3CCC(=Cc1ccccc1)C2(OCCO2)C3
(2) InChI: InChI=1/C15H18O2/c1-2-6-13(7-3-1)12-14-8-4-5-9-15(14)16-10-11-17-15/h1-3,6-7,12H,4-5,8-11H2
(3) InChIKey: WSTQUIZIWKMGSP-UHFFFAOYAK