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CAS No.: | 74649-96-0 |
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Name: | 2,2-dimethyl-1,4,7,10-tetraoxacyclododecane |
Molecular Structure: | |
Formula: | C10H20O4 |
Molecular Weight: | 204.2634 |
Synonyms: | 2,2-dimethyl-1,4,7,10-tetraoxacyclododecane |
EINECS: | 277-942-6 |
Density: | 0.947 g/cm3 |
Boiling Point: | 284.5 °C at 760 mmHg |
Flash Point: | 106.6 °C |
PSA: | 36.92000 |
LogP: | 0.84500 |
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The CAS registry number of 1,4,7,10-Tetraoxacyclododecane,2,2-dimethyl- is 74649-96-0. Its EINECS registry number is 277-942-6. This chemical's molecular formula is C10H20O4 and molecular weight is 204.2634. What's more, both its IUPAC name and systematic name are the same which is 2,2-Dimethyl-1,4,7,10-tetraoxacyclododecane.
Physical properties about 1,4,7,10-Tetraoxacyclododecane,2,2-dimethyl- are: (1)ACD/LogP: 0.49; (2)# of Rule of 5 Violations: 0; (3)0.49 ACD/LogD (pH 7.4): 0.49; (4)#H bond acceptors: 4; (5)#H bond donors: 0; (6)#Freely Rotating Bonds: 0; (7)Polar Surface Area: 36.92 Å2; (8)Index of Refraction: 1.403; (9)Molar Refractivity: 52.63 cm3; (10)Molar Volume: 215.4 cm3; (11)Polarizability: 20.86×10-24 cm3; (12)Surface Tension: 29.4 dyne/cm; (13)Density: 0.947 g/cm3; (14)Flash Point: 106.6 °C; (15)Enthalpy of Vaporization: 50.24 kJ/mol; (16)Boiling Point: 284.5 °C at 760 mmHg; (17)Vapour Pressure: 0.0051 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC1(C)COCCOCCOCCO1
(2) InChI: InChI=1/C10H20O4/c1-10(2)9-13-6-5-11-3-4-12-7-8-14-10/h3-9H2,1-2H3
(3) InChIKey: QKGREUBKUYOBTR-UHFFFAOYAC