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CAS No.: | 49673-70-3 |
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Name: | 7-(1,1-dimethylethyl)-1,4-dioxaspiro[4.5]decane |
Molecular Structure: | |
Formula: | C12H22O2 |
Molecular Weight: | 198.305 |
Synonyms: | 9-tert-Butyl-1,4-dioxaspiro[4.5]decane; |
EINECS: | 256-424-3 |
Density: | 0.97 g/cm3 |
Boiling Point: | 231.1 °C at 760 mmHg |
Flash Point: | 87.4 °C |
PSA: | 18.46000 |
LogP: | 2.96580 |
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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