Cas no 18829-89-5 (5,8-Tetradecadienoic acid, methyl ester, (5Z,8Z)-)
18829-89-5 structure
Product Name:5,8-Tetradecadienoic acid, methyl ester, (5Z,8Z)-
CAS No:18829-89-5
MF:C15H26O2
MW:238.365745067596
CID:1380426
PubChem ID:71353119
Update Time:2025-04-20
5,8-Tetradecadienoic acid, methyl ester, (5Z,8Z)- Chemical and Physical Properties
Names and Identifiers
-
- 5,8-Tetradecadienoic acid, methyl ester, (5Z,8Z)-
- methyl tetradeca-5,8-dienoate
- 18829-89-5
- DTXSID30777879
-
- Inchi： 1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h7-8,10-11H,3-6,9,12-14H2,1-2H3/b8-7-,11-10+
- InChI Key： UZFMPMFXZHNDLT-QEFCTBRHSA-N
- SMILES： CCCCC/C=C\C/C=C/CCCC(OC)=O
Computed Properties
- Exact Mass: 238.193280068g/mol
- Monoisotopic Mass: 238.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 11
- Complexity: 229
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 4.7
- Topological Polar Surface Area: 26.3?2
5,8-Tetradecadienoic acid, methyl ester, (5Z,8Z)- Related Literature
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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