Cas no 93892-58-1 (Methyl 1,2,3,4,6,7,8,8a-octahydro-2,8,8-trimethyl-2-naphthoate)
93892-58-1 structure
Product Name:Methyl 1,2,3,4,6,7,8,8a-octahydro-2,8,8-trimethyl-2-naphthoate
CAS No:93892-58-1
MF:C15H24O2
MW:236.349864959717
CID:815901
PubChem ID:16205843
Update Time:2025-04-19
Methyl 1,2,3,4,6,7,8,8a-octahydro-2,8,8-trimethyl-2-naphthoate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 1,2,3,4,6,7,8,8a-octahydro-2,8,8-trimethyl-2-naphthoate
- methyl 2,8,8-trimethyl-1,3,4,6,7,8a-hexahydronaphthalene-2-carboxylate
- 93892-58-1
- DTXSID90917335
- NS00064050
- EINECS 299-543-6
- Methyl 2,8,8-trimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalene-2-carboxylate
-
- Inchi： 1S/C15H24O2/c1-14(2)8-5-6-11-7-9-15(3,10-12(11)14)13(16)17-4/h6,12H,5,7-10H2,1-4H3
- InChI Key： ZMXFFZBRNBVZAS-UHFFFAOYSA-N
- SMILES： O(C)C(C1(C)CCC2=CCCC(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
- XLogP3: 3.4
Experimental Properties
- Density: 0.99
- Boiling Point: 296.9°Cat760mmHg
- Flash Point: 125.9°C
- Refractive Index: 1.495
Methyl 1,2,3,4,6,7,8,8a-octahydro-2,8,8-trimethyl-2-naphthoate Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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