Cas no 115732-67-7 (9-Octadecenoic acid(9Z)-, heneicosyl ester)
115732-67-7 structure
Product Name:9-Octadecenoic acid(9Z)-, heneicosyl ester
CAS No:115732-67-7
MF:C40H78O2
MW:591.046133518219
CID:130894
PubChem ID:54233037
Update Time:2025-04-19
9-Octadecenoic acid(9Z)-, heneicosyl ester Chemical and Physical Properties
Names and Identifiers
-
- 9-Octadecenoic acid(9Z)-, heneicosyl ester
- Behenyl Oleate
- docosyl octadec-9-enoate
- 9-Octadecenoicacid (Z)-, heneicosyl ester
- ACMC-20mlhd
- AG-D-36876
- CTK4A9463
- CTK8E5637
- behenyloleate
- DTXSID40709944
- 115732-67-7
-
- Inchi： 1S/C40H78O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h18,24H,3-17,19-23,25-39H2,1-2H3
- InChI Key： QKPJNZCOIFUYNE-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCCC=CCCCCCCCC)=O)CCCCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 590.60000
- Monoisotopic Mass: 590.60018173g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 42
- Rotatable Bond Count: 37
- Complexity: 526
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 18.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.30000
- LogP: 14.38900
9-Octadecenoic acid(9Z)-, heneicosyl ester Security Information
- WGK Germany：3
- Storage Condition：?20°C
9-Octadecenoic acid(9Z)-, heneicosyl ester Related Literature
-
Emmanuel D. Revellame,Rafael Hernandez,William French,William E. Holmes,Tracy J. Benson,Patrisha J. Pham,Allison Forks,Robert Callahan II RSC Adv. 2012 2 2015
115732-67-7 (9-Octadecenoic acid(9Z)-, heneicosyl ester) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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