Cas no 55195-18-1 (Dodecanoic acid, 1-methylbutyl ester)
55195-18-1 structure
Product Name:Dodecanoic acid, 1-methylbutyl ester
CAS No:55195-18-1
MF:C17H34O2
MW:270.450665950775
CID:352615
PubChem ID:71364274
Update Time:2025-04-19
Dodecanoic acid, 1-methylbutyl ester Chemical and Physical Properties
Names and Identifiers
-
- Dodecanoic acid, 1-methylbutyl ester
- pentan-2-yl dodecanoate
- 2-Pentyl dodecanoate
- DTXSID50787753
- 1-methylbutyl dodecanoate
- 55195-18-1
- MMMPIDDNNZYIOB-UHFFFAOYSA-N
-
- Inchi： 1S/C17H34O2/c1-4-6-7-8-9-10-11-12-13-15-17(18)19-16(3)14-5-2/h16H,4-15H2,1-3H3
- InChI Key： MMMPIDDNNZYIOB-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCCCCCC)=O)C(C)CCC
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: 14
- Complexity: 201
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Dodecanoic acid, 1-methylbutyl ester Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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