Cas no 35750-31-3 (Cyclopropanecarboxylic acid,2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 3,7-dimethyl-2,6-octadien-1-yl ester)
35750-31-3 structure
Product Name:Cyclopropanecarboxylic acid,2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 3,7-dimethyl-2,6-octadien-1-yl ester
CAS No:35750-31-3
MF:C20H32O2
MW:304.466886520386
CID:323768
PubChem ID:5946957
Update Time:2025-04-19
Cyclopropanecarboxylic acid,2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 3,7-dimethyl-2,6-octadien-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclopropanecarboxylic acid,2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 3,7-dimethyl-2,6-octadien-1-yl ester
- [(2E)-3,7-dimethylocta-2,6-dienyl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
- AC1NZXBJ
- NSC406118
- NSC-406118
- DTXSID80421431
- 35750-31-3
-
- Inchi： 1S/C20H32O2/c1-14(2)9-8-10-16(5)11-12-22-19(21)18-17(13-15(3)4)20(18,6)7/h9,11,13,17-18H,8,10,12H2,1-7H3/b16-11+
- InChI Key： QGSQJRGJFYLTDB-LFIBNONCSA-N
- SMILES： O(C/C=C(\C)/CC/C=C(\C)/C)C(C1C(/C=C(\C)/C)C1(C)C)=O
Computed Properties
- Exact Mass: 304.24036
- Monoisotopic Mass: 304.24
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 8
- Complexity: 484
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.4
- Topological Polar Surface Area: 26.3A^2
Experimental Properties
- Density: 0.96
- Boiling Point: 379°Cat760mmHg
- Flash Point: 177.2°C
- Refractive Index: 1.516
- PSA: 26.3
- LogP: 5.46070
Cyclopropanecarboxylic acid,2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 3,7-dimethyl-2,6-octadien-1-yl ester Related Literature
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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