Cas no 61142-46-9 (2-Heptanone; Δ1-Enol-form, Me ether)
61142-46-9 structure
Product Name:2-Heptanone; Δ1-Enol-form, Me ether
CAS No:61142-46-9
MF:C8H16O
MW:128.212042808533
CID:2674614
PubChem ID:551618
Update Time:2025-04-21
2-Heptanone; Δ1-Enol-form, Me ether Chemical and Physical Properties
Names and Identifiers
-
- 2-Methoxy-1-heptene
- 2-methoxyhept-1-ene
- KJGVHZIDNOLMID-UHFFFAOYSA-N
- 2-Methoxy-1-heptene #
- 61142-46-9
- SCHEMBL4215862
- DTXSID80338878
- 1-Heptene, 2-methoxy-
- 2-Heptanone; Δ1-Enol-form, Me ether
-
- Inchi： 1S/C8H16O/c1-4-5-6-7-8(2)9-3/h2,4-7H2,1,3H3
- InChI Key： KJGVHZIDNOLMID-UHFFFAOYSA-N
- SMILES： CCCCCC(OC)=C
Computed Properties
- Exact Mass: 128.120115130Da
- Monoisotopic Mass: 128.120115130Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 5
- Complexity: 76.6
- 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: 3.1
- Topological Polar Surface Area: 9.2?2
2-Heptanone; Δ1-Enol-form, Me ether Related Literature
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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