Cas no 61621-44-1 (2-Cyclohexen-1-one, 3-methoxy-5-methyl-)
61621-44-1 structure
Product Name:2-Cyclohexen-1-one, 3-methoxy-5-methyl-
CAS No:61621-44-1
MF:C8H12O2
MW:140.179682731628
CID:472522
PubChem ID:12641265
Update Time:2025-04-19
2-Cyclohexen-1-one, 3-methoxy-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclohexen-1-one, 3-methoxy-5-methyl-
- 3-methoxy-5-methylcyclohex-2-en-1-one
- DTXSID00505363
- 61621-44-1
-
- Inchi： 1S/C8H12O2/c1-6-3-7(9)5-8(4-6)10-2/h5-6H,3-4H2,1-2H3
- InChI Key： SXMOAGMZSCSLIQ-UHFFFAOYSA-N
- SMILES： O(C)C1=CC(CC(C)C1)=O
Computed Properties
- Exact Mass: 140.08376
- Monoisotopic Mass: 140.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 170
- 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: 1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2-Cyclohexen-1-one, 3-methoxy-5-methyl- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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