Cas no 17363-94-9 (9-Octadecenoic acid,9-octadecen-1-yl ester)
17363-94-9 structure
Product Name:9-Octadecenoic acid,9-octadecen-1-yl ester
CAS No:17363-94-9
MF:C36H68O2
MW:532.9239320755
CID:122290
PubChem ID:6110549
Update Time:2025-04-18
9-Octadecenoic acid,9-octadecen-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- 9-Octadecenoic acid,9-octadecen-1-yl ester
- oleic acid oleyl ester
- OLEYL OLEATE
- [(E)-octadec-9-enyl] (E)-octadec-9-enoate
- oleyloleat
- 9-Octadecenoic acid, 9-octadecen-1-yl ester
- SCHEMBL2961011
- 17363-94-9
- SCHEMBL43557
-
- Inchi: 1S/C36H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-35H2,1-2H3/b19-17+,20-18+
- InChI Key: BARWIPMJPCRCTP-XPWSMXQVSA-N
- SMILES: O(C(CCCCCCC/C=C/CCCCCCCC)=O)CCCCCCCC/C=C/CCCCCCCC
Computed Properties
- Exact Mass: 532.52193141g/mol
- Monoisotopic Mass: 532.52193141g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 38
- Rotatable Bond Count: 32
- Complexity: 508
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: 15.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.30000
- LogP: 12.60460
9-Octadecenoic acid,9-octadecen-1-yl ester Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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