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1,4-Dioxaspiro[4.5]decane,7-(1,1-dimethylethyl)-

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Name

1,4-Dioxaspiro[4.5]decane,7-(1,1-dimethylethyl)-

EINECS 256-424-3
CAS No. 49673-70-3 Density 0.97 g/cm3
PSA 18.46000 LogP 2.96580
Solubility N/A Melting Point N/A
Formula C12H22O2 Boiling Point 231.1 °C at 760 mmHg
Molecular Weight 198.305 Flash Point 87.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 49673-70-3 (7-(1,1-dimethylethyl)-1,4-dioxaspiro[4.5]decane) Hazard Symbols N/A
Synonyms

9-tert-Butyl-1,4-dioxaspiro[4.5]decane;

 

1,4-Dioxaspiro[4.5]decane,7-(1,1-dimethylethyl)- Specification

The 1, 4-Dioxaspiro[4.5]decane, 7-(1, 1-dimethylethyl)-, with the CAS registry number 49673-70-3, is also known as 7-(1, 1-Dimethylethyl)-1, 4-dioxaspiro[4.5]decane. And its EINECS registry number is 256-424-3. This chemical's molecular formula is C12H22O2 and molecular weight is 198.30. What's more, its systematic name is 9-tert-Butyl-1, 4-dioxaspiro[4.5]decane.

Physical properties about 1, 4-Dioxaspiro[4.5]decane, 7-(1, 1-dimethylethyl)- are: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.07; (4)ACD/LogD (pH 7.4): 3.07; (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: 1.472; (10)Molar Refractivity: 56.99 cm3; (11)Molar Volume: 203.3 cm3; (12)Polarizability: 22.59×10-24 cm3; (13)Surface Tension: 31.8 dyne/cm; (14)Density: 0.97 g/cm3; (15)Flash Point: 87.4 °C; (16)Enthalpy of Vaporization: 44.87 kJ/mol; (17)Boiling Point: 231.1 °C at 760 mmHg; (18)Vapour Pressure: 0.0964 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)C1CCCC2(C1)OCCO2
(2) InChI: InChI=1/C12H22O2/c1-11(2,3)10-5-4-6-12(9-10)13-7-8-14-12/h10H,4-9H2,1-3H3
(3) InChIKey: NPSDJGXZMLTNLN-UHFFFAOYAG

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