Cas no 56745-19-8 (2-Cyclohexen-1-one, 3-butyl-2-methyl-)
56745-19-8 structure
Product Name:2-Cyclohexen-1-one, 3-butyl-2-methyl-
CAS No:56745-19-8
MF:C11H18O
MW:166.260023593903
CID:347983
PubChem ID:10855863
Update Time:2025-04-19
2-Cyclohexen-1-one, 3-butyl-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclohexen-1-one, 3-butyl-2-methyl-
- 3-butyl-2-methylcyclohex-2-en-1-one
- 56745-19-8
- DTXSID90445986
- 3-butyl-2-methyl-2-cyclohexen-1-one
-
- Inchi： 1S/C11H18O/c1-3-4-6-10-7-5-8-11(12)9(10)2/h3-8H2,1-2H3
- InChI Key： ROCAPBFGOZBRSI-UHFFFAOYSA-N
- SMILES： O=C1C(C)=C(CCCC)CCC1
Computed Properties
- Exact Mass: 166.13584
- Monoisotopic Mass: 166.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 201
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-Cyclohexen-1-one, 3-butyl-2-methyl- Related Literature
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
56745-19-8 (2-Cyclohexen-1-one, 3-butyl-2-methyl-) Related Products
- 1193-18-6(Seudenone)
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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