Cas no 39864-10-3 (4-(1-chloro-1-methylethyl)-1-methylcyclohexene)
39864-10-3 structure
Product Name:4-(1-chloro-1-methylethyl)-1-methylcyclohexene
CAS No:39864-10-3
MF:C10H17Cl
MW:172.694982290268
CID:924983
PubChem ID:162397
Update Time:2025-04-19
4-(1-chloro-1-methylethyl)-1-methylcyclohexene Chemical and Physical Properties
Names and Identifiers
-
- 4-(1-chloro-1-methylethyl)-1-methylcyclohexene
- 4-(2-chloropropan-2-yl)-1-methylcyclohexene
- Cyclohexene, 4-(1-chloro-1-methylethyl)-1-methyl-
- 33012-80-5
- EINECS 254-660-1
- A829082
- JDMWYZSPJDXSOB-UHFFFAOYSA-N
- 4-(2-chloranylpropan-2-yl)-1-methyl-cyclohexene
- S9TJ2EH7VC
- SCHEMBL5170826
- NS00057316
- DTXSID70885785
- 39864-10-3
-
- Inchi： 1S/C10H17Cl/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9H,5-7H2,1-3H3
- InChI Key： JDMWYZSPJDXSOB-UHFFFAOYSA-N
- SMILES： ClC(C)(C)C1CC=C(C)CC1
Computed Properties
- Exact Mass: 172.10201
- Monoisotopic Mass: 172.1018782g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 168
- 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: 3.1
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
4-(1-chloro-1-methylethyl)-1-methylcyclohexene Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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