Cas no 16863-63-1 ((+-)-Laballensaeuremethylester)
16863-63-1 structure
Product Name:(+-)-Laballensaeuremethylester
CAS No:16863-63-1
MF:C19H34O2
MW:294.472066402435
CID:2071797
PubChem ID:91697606
Update Time:2025-04-21
(+-)-Laballensaeuremethylester Chemical and Physical Properties
Names and Identifiers
-
- (+-)-Laballensaeuremethylester
- Laballensaeuremethylester
- Me ester-(()-Laballenic acid
- Methyllaballenat
- Octadeca-5,6-diensaeure-methylester
- Octadecadien-5,6-saeure-1-methylester
- AKRYBHYSBOTYON-UHFFFAOYSA-N
- 5,6-Octadecadienoic acid methyl ester
- 16863-63-1
- DTXSID901017037
- Methyl 5,6-octadecadienoate
- DTXCID501475229
-
- Inchi： 1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h13,15H,3-12,16-18H2,1-2H3
- InChI Key： AKRYBHYSBOTYON-UHFFFAOYSA-N
- SMILES： O(C)C(CCCC=C=CCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 294.255880323g/mol
- Monoisotopic Mass: 294.255880323g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 15
- Complexity: 288
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.7
- Topological Polar Surface Area: 26.3?2
(+-)-Laballensaeuremethylester Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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