Cas no 56745-22-3 (2-Cyclohexen-1-one, 3-butyl-5,5-dimethyl-)
56745-22-3 structure
Product Name:2-Cyclohexen-1-one, 3-butyl-5,5-dimethyl-
CAS No:56745-22-3
MF:C12H20O
MW:180.286603927612
CID:347982
PubChem ID:11769148
Update Time:2025-04-19
2-Cyclohexen-1-one, 3-butyl-5,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclohexen-1-one, 3-butyl-5,5-dimethyl-
- 3-butyl-5,5-dimethylcyclohex-2-en-1-one
- DTXSID60472108
- 56745-22-3
- AKOS014511103
- SCHEMBL20370331
-
- Inchi： 1S/C12H20O/c1-4-5-6-10-7-11(13)9-12(2,3)8-10/h7H,4-6,8-9H2,1-3H3
- InChI Key： ORPKYSDROGAQAE-UHFFFAOYSA-N
- SMILES： O=C1C=C(CCCC)CC(C)(C)C1
Computed Properties
- Exact Mass: 180.1515
- Monoisotopic Mass: 180.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 223
- 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: 3.2
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-Cyclohexen-1-one, 3-butyl-5,5-dimethyl- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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