Cas no 16166-97-5 (2-Cyclooctene-1-carboxylic acid, methyl ester, (Z)-)
16166-97-5 structure
Product Name:2-Cyclooctene-1-carboxylic acid, methyl ester, (Z)-
CAS No:16166-97-5
MF:C10H16O2
MW:168.232843399048
CID:1341406
PubChem ID:54007475
Update Time:2025-04-20
2-Cyclooctene-1-carboxylic acid, methyl ester, (Z)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclooctene-1-carboxylic acid, methyl ester, (Z)-
- methyl cyclooct-2-ene-1-carboxylate
- 16166-97-5
- DTXSID90708321
-
- Inchi： 1S/C10H16O2/c1-12-10(11)9-7-5-3-2-4-6-8-9/h5,7,9H,2-4,6,8H2,1H3
- InChI Key： KPXFSOAUFBDJJS-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=CCCCCC1)=O
Computed Properties
- Exact Mass: 168.11508
- Monoisotopic Mass: 168.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 173
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.9
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2-Cyclooctene-1-carboxylic acid, methyl ester, (Z)- Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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