Cas no 41314-13-0 (Benzene,1,2,5-trimethyl-3-(1-methylethyl)-)
41314-13-0 structure
Product Name:Benzene,1,2,5-trimethyl-3-(1-methylethyl)-
CAS No:41314-13-0
MF:C12H18
MW:162.271323680878
CID:327575
PubChem ID:14325903
Update Time:2025-04-19
Benzene,1,2,5-trimethyl-3-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,2,5-trimethyl-3-(1-methylethyl)-
- 1,2,5-trimethyl-3-propan-2-ylbenzene
- Benzene, 1,2,5-trimethyl-3-(1-methylethyl)- (9CI)
- TZKXCJCWPNIXDP-UHFFFAOYSA-N
- 41314-13-0
- DTXSID90558984
- 1,2,5-Trimethyl-3-isopropylbenzene
- 1,2,5-Trimethyl-3-(propan-2-yl)benzene
-
- Inchi: 1S/C12H18/c1-8(2)12-7-9(3)6-10(4)11(12)5/h6-8H,1-5H3
- InChI Key: TZKXCJCWPNIXDP-UHFFFAOYSA-N
- SMILES: C(C)(C)C1C=C(C)C=C(C)C=1C
Computed Properties
- Exact Mass: 162.140850574g/mol
- Monoisotopic Mass: 162.140850574g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 137
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.8
- Topological Polar Surface Area: 0?2
Benzene,1,2,5-trimethyl-3-(1-methylethyl)- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
41314-13-0 (Benzene,1,2,5-trimethyl-3-(1-methylethyl)-) Related Products
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