Cas no 288862-40-8 (9-Octadecen-1-one, 1-(2-oxazolyl)-, (9Z)-)
288862-40-8 structure
Product Name:9-Octadecen-1-one, 1-(2-oxazolyl)-, (9Z)-
CAS No:288862-40-8
MF:C21H35NO2
MW:333.508106470108
CID:1436740
PubChem ID:44285344
Update Time:2025-04-20
9-Octadecen-1-one, 1-(2-oxazolyl)-, (9Z)- Chemical and Physical Properties
Names and Identifiers
-
- 9-Octadecen-1-one, 1-(2-oxazolyl)-, (9Z)-
- 1-(1,3-oxazol-2-yl)octadec-9-en-1-one
- 1-Oxazol-2-yl-nonadec-10-en-2-one
- PD179071
- 1-(oxazol-2-yl)octadec-9-en-1-one
- (Z)-1-Oxazol-2-yl-octadec-9-en-1-one
- BDBM50100864
- (9z)-1-(1,3-oxazol-2-yl)octadec-9-en-1-one
- SCHEMBL13764125
- (Z)-1-(oxazol-2-yl)octadec-9-en-1-one
- CHEMBL39412
- 288862-40-8
-
- Inchi： 1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-22-18-19-24-21/h9-10,18-19H,2-8,11-17H2,1H3/b10-9-
- InChI Key： WWYUNXGFLPTVRR-KTKRTIGZSA-N
- SMILES： O=C(C1=NC=CO1)CCCCCCC/C=C\CCCCCCCC
Computed Properties
- Exact Mass: 333.26695
- Monoisotopic Mass: 333.266779359g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 16
- Complexity: 328
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.8
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- PSA: 43.1
9-Octadecen-1-one, 1-(2-oxazolyl)-, (9Z)- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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