Cas no 5090-16-4 (3-Hepten-2-one,5-methyl-)
3-Hepten-2-one,5-methyl- structure
Product Name:3-Hepten-2-one,5-methyl-
3-Hepten-2-one,5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Hepten-2-one,5-methyl-
- 5-Methyl-3-hepten-2-one
- (E)-5-methylhept-3-en-2-one
- 5-METHYLHEPT-3-EN-2-ONE
- SCHEMBL2592835
- AKOS017404943
- 3-Hepten-2-one, 5-methyl-
- 875587-77-2
- SCHEMBL2592834
- AKOS006275405
- EN300-1859260
- 5090-16-4
- (3E)-5-Methyl-3-hepten-2-one #
- DTXSID301016467
-
- Inchi： 1S/C8H14O/c1-4-7(2)5-6-8(3)9/h5-7H,4H2,1-3H3/b6-5+
- InChI Key： QDUQNQQMHZNNTG-AATRIKPKSA-N
- SMILES： O=C(C)/C=C/C(C)CC
Computed Properties
- Exact Mass: 126.10452
- Monoisotopic Mass: 126.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 114
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
3-Hepten-2-one,5-methyl- Related Literature
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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