Cas no 56963-97-4 (Benzene, (1-methyl-2-methylenebutyl)-)
56963-97-4 structure
Product Name:Benzene, (1-methyl-2-methylenebutyl)-
CAS No:56963-97-4
MF:C12H16
MW:160.255443572998
CID:347224
PubChem ID:12702692
Update Time:2025-04-19
Benzene, (1-methyl-2-methylenebutyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, (1-methyl-2-methylenebutyl)-
- 3-methylidenepentan-2-ylbenzene
- 56963-97-4
- DTXSID70507410
- (3-Methylidenepentan-2-yl)benzene
-
- Inchi： 1S/C12H16/c1-4-10(2)11(3)12-8-6-5-7-9-12/h5-9,11H,2,4H2,1,3H3
- InChI Key： SPXLTZWAHMALFY-UHFFFAOYSA-N
- SMILES： C(C)(C1C=CC=CC=1)C(=C)CC
Computed Properties
- Exact Mass: 160.12528
- Monoisotopic Mass: 160.125200510g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 140
- 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: 4.4
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, (1-methyl-2-methylenebutyl)- Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
56963-97-4 (Benzene, (1-methyl-2-methylenebutyl)-) Related Products
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