Cas no 3233-92-9 (Oxiraneoctanoic acid, 3-(8-hydroxyoctyl)-)
3233-92-9 structure
Product Name:Oxiraneoctanoic acid, 3-(8-hydroxyoctyl)-
CAS No:3233-92-9
MF:C18H34O4
MW:314.460166454315
CID:292953
PubChem ID:9818312
Update Time:2025-04-19
Oxiraneoctanoic acid, 3-(8-hydroxyoctyl)- Chemical and Physical Properties
Names and Identifiers
-
- Oxiraneoctanoic acid, 3-(8-hydroxyoctyl)-
- 8-[3-(8-hydroxyoctyl)oxiran-2-yl]octanoic acid
- 2-oxiraneoctanoic acid, 3-(8-hydroxyoctyl)-
- 9,10-epoxy-18-hydroxyoctadecanoic acid
- LogP
- DTXSID00431294
- CHEBI:133381
- C19620
- 9,10-epoxy-18-hydroxy-octadecanoic acid
- SCHEMBL320497
- ITTPZDMHCNGAGQ-UHFFFAOYSA-N
- 9,10-epoxy-18-hydroxystearic acid
- 3233-92-9
-
- Inchi： 1S/C18H34O4/c19-15-11-7-2-1-4-8-12-16-17(22-16)13-9-5-3-6-10-14-18(20)21/h16-17,19H,1-15H2,(H,20,21)
- InChI Key： ITTPZDMHCNGAGQ-UHFFFAOYSA-N
- SMILES： OCCCCCCCCC1C(CCCCCCCC(=O)O)O1
Computed Properties
- Exact Mass: 314.24582
- Monoisotopic Mass: 314.24570956g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 16
- Complexity: 280
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.5
- Topological Polar Surface Area: 70.1?2
Experimental Properties
- PSA: 70.06
Oxiraneoctanoic acid, 3-(8-hydroxyoctyl)- Related Literature
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Rui Ferreira,Helga Garcia,Andreia F. Sousa,Marina Guerreiro,Filipe J. S. Duarte,Carmen S. R. Freire,Maria José Calhorda,Armando J. D. Silvestre,Werner Kunz,Luís Paulo N. Rebelo,Cristina Silva Pereira RSC Adv. 2014 4 2993
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Stefan Semlitsch,Susana Torron,Mats Johansson,Mats Martinelle Green Chem. 2016 18 1923
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Elaine G. Mission,Maria Jose Cocero Green Chem. 2022 24 8393
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Samer Nameer,Stefan Semlitsch,Mats Martinelle,Mats Johansson RSC Adv. 2017 7 50294
-
Rui Ferreira,Helga Garcia,Andreia F. Sousa,Marija Petkovic,Pedro Lamosa,Carmen S. R. Freire,Armando J. D. Silvestre,Luís Paulo N. Rebelo,Cristina Silva Pereira New J. Chem. 2012 36 2014
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