Cas no 182412-80-2 (5-Hepten-2-one,6-methyl-3-methylene-)
182412-80-2 structure
Product Name:5-Hepten-2-one,6-methyl-3-methylene-
CAS No:182412-80-2
MF:C9H14O
MW:138.206862926483
CID:113849
PubChem ID:11829517
Update Time:2025-04-18
5-Hepten-2-one,6-methyl-3-methylene- Chemical and Physical Properties
Names and Identifiers
-
- 5-Hepten-2-one,6-methyl-3-methylene-
- 6-Methyl-3-methylen-hept-5-en-2-on
- 5-Hepten-2-one, 6-methyl-3-methylene- (9CI)
- 6-Methyl-3-methylenehept-5-en-2-one
- 6-methyl-3-methylidenehept-5-en-2-one
- 182412-80-2
-
- Inchi： 1S/C9H14O/c1-7(2)5-6-8(3)9(4)10/h5H,3,6H2,1-2,4H3
- InChI Key： WQUNIOMSDORVFI-UHFFFAOYSA-N
- SMILES： O=C(C)C(=C)C/C=C(\C)/C
Computed Properties
- Exact Mass: 138.10400
- Monoisotopic Mass: 138.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 171
- 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: 2.5
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07000
- LogP: 2.48790
5-Hepten-2-one,6-methyl-3-methylene- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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