Cas no 141847-13-4 (Butanedioic acid, dodecenyl-, mono(2-methylpropyl) ester)
141847-13-4 structure
Product Name:Butanedioic acid, dodecenyl-, mono(2-methylpropyl) ester
CAS No:141847-13-4
MF:C20H36O4
MW:340.497447013855
CID:228124
PubChem ID:6436451
Update Time:2025-04-19
Butanedioic acid, dodecenyl-, mono(2-methylpropyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid, dodecenyl-, mono(2-methylpropyl) ester
- 3-(2-methylpropoxycarbonyl)pentadec-4-enoate
- A mixture of: isobutyl hydrogen 2-(α-2,4,6-trimethylnon-2-enyl)succinate isobutyl hydrogen 2-(-2,4,6-trimetyhylnon-2-enyl)succinate
- (8E)-2-[2-(2-methylpropoxy)-2-oxoethyl]tetradec-8-enoic acid
- Butanedioic acid, 2-(dodecen-1-yl)-, mono(2-methylpropyl) ester
- (E)-2-[2-(2-methylpropoxy)-2-oxoethyl]tetradec-8-enoic acid
- 141847-13-4
- EC 410-720-0
- DTXSID801014785
-
- Inchi： 1S/C20H36O4/c1-4-5-6-7-8-9-10-11-12-13-14-18(20(22)23)15-19(21)24-16-17(2)3/h8-9,17-18H,4-7,10-16H2,1-3H3,(H,22,23)/b9-8+
- InChI Key： CTQNIJLFRBJWKZ-CMDGGOBGSA-N
- SMILES： O(CC(C)C)C(CC(C(=O)O)CCCCC/C=C/CCCCC)=O
Computed Properties
- Exact Mass: 340.26135963g/mol
- Monoisotopic Mass: 340.26135963g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 16
- Complexity: 361
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.3
- Topological Polar Surface Area: 63.6?2
Butanedioic acid, dodecenyl-, mono(2-methylpropyl) ester Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
141847-13-4 (Butanedioic acid, dodecenyl-, mono(2-methylpropyl) ester) Related Products
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