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CAS No.: | 37457-15-1 |
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Name: | 2-Cyclohexen-1-one,2-methyl-3-(2-methylpropoxy)-(9CI) |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C11H18O2 |
Molecular Weight: | 182.263 |
Synonyms: | 2-Cyclohexen-1-one,3-isobutoxy-2-methyl- (6CI,7CI);2-Methyl-3-isobutoxycyclohex-2-enone;3-Isobutoxy-2-methyl-2-cyclohexen-1-one;NSC 246159; |
Density: | 0.96 g/cm3 |
Boiling Point: | 285.9 °C at 760 mmHg |
Flash Point: | 118.8 °C |
PSA: | 26.30000 |
LogP: | 2.68600 |
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The 2-Cyclohexen-1-one, 2-methyl-3-(2-methylpropoxy)-, with the CAS registry number 37457-15-1, is also known as 3-Isobutoxy-2-methyl-2-cyclohexen-1-one. It belongs to the product category of Cyclohexanone. This chemical's molecular formula is C11H18O2 and molecular weight is 182.2594. What's more, its IUPAC name is 2-Methyl-3-(2-methylpropoxy)cyclohex-2-en-1-one.
Physical properties about 2-Cyclohexen-1-one, 2-methyl-3-(2-methylpropoxy)- are: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.465; (8)Molar Refractivity: 52.21 cm3; (9)Molar Volume: 188.7 cm3; (10)Polarizability: 20.7×10-24 cm3; (11)Surface Tension: 30.8 dyne/cm; (12)Density: 0.96 g/cm3; (13)Flash Point: 118.8 °C; (14)Enthalpy of Vaporization: 52.49 kJ/mol; (15)Boiling Point: 285.9 °C at 760 mmHg; (16)Vapour Pressure: 0.00273 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1\C(=C(\OCC(C)C)CCC1)C
(2) InChI: InChI=1/C11H18O2/c1-8(2)7-13-11-6-4-5-10(12)9(11)3/h8H,4-7H2,1-3H3
(3) InChIKey: GIAZBUMIVSZJNX-UHFFFAOYAG