Cas no 26533-38-0 (6-methyl-3-(prop-1-en-2-yl)hept-5-en-2-one)
26533-38-0 structure
Product Name:6-methyl-3-(prop-1-en-2-yl)hept-5-en-2-one
CAS No:26533-38-0
MF:C11H18O
MW:166.260023593903
CID:1427713
PubChem ID:13244982
Update Time:2025-04-20
6-methyl-3-(prop-1-en-2-yl)hept-5-en-2-one Chemical and Physical Properties
Names and Identifiers
-
- 6-methyl-3-(prop-1-en-2-yl)hept-5-en-2-one
- 5-hepten-2-one, 6-methyl-3-(1-methylethenyl)-
- SCHEMBL11475484
- 6-methyl-3-isopropenylhept-5-en-2-one
- 26533-38-0
- DTXSID801262918
- 6-Methyl-3-(1-methylethenyl)-5-hepten-2-one
-
- Inchi： 1S/C11H18O/c1-8(2)6-7-11(9(3)4)10(5)12/h6,11H,3,7H2,1-2,4-5H3
- InChI Key： KGXRMGREKQQQPZ-UHFFFAOYSA-N
- SMILES： O=C(C)C(C(=C)C)C/C=C(\C)/C
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: 4
- Complexity: 207
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
6-methyl-3-(prop-1-en-2-yl)hept-5-en-2-one Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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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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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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