Cas no 61777-10-4 (Benzene, (1,3-dimethyl-2-methylenebutyl)-)
61777-10-4 structure
Product Name:Benzene, (1,3-dimethyl-2-methylenebutyl)-
CAS No:61777-10-4
MF:C13H18
MW:174.282023906708
CID:466518
PubChem ID:71392320
Update Time:2025-04-19
Benzene, (1,3-dimethyl-2-methylenebutyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, (1,3-dimethyl-2-methylenebutyl)-
- (4-methyl-3-methylidenepentan-2-yl)benzene
- DTXSID90814138
- 61777-10-4
-
- Inchi： 1S/C13H18/c1-10(2)11(3)12(4)13-8-6-5-7-9-13/h5-10,12H,3H2,1-2,4H3
- InChI Key： TWYZVLJKQFSWQM-UHFFFAOYSA-N
- SMILES： C(C)(C1C=CC=CC=1)C(=C)C(C)C
Computed Properties
- Exact Mass: 174.14094
- Monoisotopic Mass: 174.140850574g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 161
- 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: 4.7
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, (1,3-dimethyl-2-methylenebutyl)- Related Literature
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
61777-10-4 (Benzene, (1,3-dimethyl-2-methylenebutyl)-) Related Products
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