Cas no 70607-97-5 (4-Tetradecenoic acid, 7-methoxy-, (4E,7S)-)
70607-97-5 structure
Product Name:4-Tetradecenoic acid, 7-methoxy-, (4E,7S)-
CAS No:70607-97-5
MF:C15H28O3
MW:256.381025314331
CID:546957
PubChem ID:11065049
Update Time:2025-04-19
4-Tetradecenoic acid, 7-methoxy-, (4E,7S)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Tetradecenoic acid, 7-methoxy-, (4E,7S)-
- (7S)-7-methoxytetradec-4-enoic acid
- CCG-257512
- SCHEMBL1712928
- MLS002539547
- CHEBI:67609
- (E,7S)-7-methoxytetradec-4-enoic acid
- SMR001453695
- DTXSID201046043
- Lyngbic acid
- SCHEMBL2398993
- 70607-97-5
- (7S,4E)-Methoxytetradecenoic Acid
- 7(S)-methoxy-tetradec-4E-enoic acid
- CHEMBL1808197
- (-)-trans-7(s)-methoxytetradec-4-enoic acid
- Q27136079
- HMS3100K11
- LMFA01080034
-
- Inchi： 1S/C15H28O3/c1-3-4-5-6-8-11-14(18-2)12-9-7-10-13-15(16)17/h7,9,14H,3-6,8,10-13H2,1-2H3,(H,16,17)/b9-7+/t14-/m0/s1
- InChI Key： DHIPOEWPWSLXNL-KGXGESDWSA-N
- SMILES： O(C)[C@H](C/C=C/CCC(=O)O)CCCCCCC
Computed Properties
- Exact Mass: 256.20394
- Monoisotopic Mass: 256.20384475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 12
- Complexity: 224
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
4-Tetradecenoic acid, 7-methoxy-, (4E,7S)- Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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