Cas no 93892-57-0 (Methyl 1,2,3,5,6,7,8,8a-octahydro-2,8,8-trimethyl-2-naphthoate)
93892-57-0 structure
Product Name:Methyl 1,2,3,5,6,7,8,8a-octahydro-2,8,8-trimethyl-2-naphthoate
CAS No:93892-57-0
MF:C15H24O2
MW:236.349864959717
CID:811748
Update Time:2023-08-03
Methyl 1,2,3,5,6,7,8,8a-octahydro-2,8,8-trimethyl-2-naphthoate Chemical and Physical Properties
Names and Identifiers
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- 2-Naphthalenecarboxylicacid, 1,2,3,5,6,7,8,8a-octahydro-2,8,8-trimethyl-, methyl ester
- methyl 1,2,3,5,6,7,8,8a-octahydro-2,8,8-trimethyl-2-naphthoate
- methyl 2,8,8-trimethyl-1,3,5,6,7,8a-hexahydronaphthalene-2-carboxylate
- Methyl 2,8,8-trimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalene-2-carboxylate
- 1,2,3,5,6,7,8,8a-Octahydro-2,8,8-trimethyl-2-naphthalenecarboxylic acid methyl ester
- Methyl 1,2,3,5,6,7,8,8a-octahydro-2,8,8-trimethyl-2-naphthoate
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- Inchi： 1S/C15H24O2/c1-14(2)8-5-6-11-7-9-15(3,10-12(11)14)13(16)17-4/h7,12H,5-6,8-10H2,1-4H3
- InChI Key： KNHQUGDAVAYSEH-UHFFFAOYSA-N
- SMILES： O(C)C(C1(C)CC=C2CCCC(C)(C)C2C1)=O
Computed Properties
- Exact Mass: 236.17763
- Monoisotopic Mass: 236.17763
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 354
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
Experimental Properties
- Density: 0.99
- Boiling Point: 297.1°Cat760mmHg
- Flash Point: 126°C
- Refractive Index: 1.495
Methyl 1,2,3,5,6,7,8,8a-octahydro-2,8,8-trimethyl-2-naphthoate Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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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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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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