Cas no 117769-92-3 (Dodecanoic acid,1,1-dimethylpropyl ester)
117769-92-3 structure
Product Name:Dodecanoic acid,1,1-dimethylpropyl ester
CAS No:117769-92-3
MF:C17H34O2
MW:270.450665950775
CID:132862
PubChem ID:550906
Update Time:2025-04-19
Dodecanoic acid,1,1-dimethylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Dodecanoic acid,1,1-dimethylpropyl ester
- 2-methylbutan-2-yl dodecanoate
- tert-Pentyl laurate
- AC1LB3WI
- ACMC-20mnf4
- AG-D-39857
- CTK4B0434
- t-amyllaurate
- DTXSID30338747
- 117769-92-3
- SCHEMBL4625177
- tert-Pentyl laurate #
- QRKGIHFIEKTDED-UHFFFAOYSA-N
- Dodecanoic acid, 1,1-dimethylpropyl ester
-
- Inchi： 1S/C17H34O2/c1-5-7-8-9-10-11-12-13-14-15-16(18)19-17(3,4)6-2/h5-15H2,1-4H3
- InChI Key： QRKGIHFIEKTDED-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCCCCCC)=O)C(C)(C)CC
Computed Properties
- Exact Mass: 270.25602
- Monoisotopic Mass: 270.255880323g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 13
- Complexity: 221
- 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: 6.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Dodecanoic acid,1,1-dimethylpropyl ester Related Literature
-
Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
-
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
117769-92-3 (Dodecanoic acid,1,1-dimethylpropyl ester) Related Products
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