Cas no 917836-73-8 (Benzene, (2-methyl-1-methylenepentyl)-)
917836-73-8 structure
Product Name:Benzene, (2-methyl-1-methylenepentyl)-
CAS No:917836-73-8
MF:C13H18
MW:174.282023906708
CID:783853
PubChem ID:71428311
Update Time:2025-04-19
Benzene, (2-methyl-1-methylenepentyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, (2-methyl-1-methylenepentyl)-
- 3-methylhex-1-en-2-ylbenzene
- 917836-73-8
- (3-Methylhex-1-en-2-yl)benzene
- DTXSID00847038
-
- Inchi： 1S/C13H18/c1-4-8-11(2)12(3)13-9-6-5-7-10-13/h5-7,9-11H,3-4,8H2,1-2H3
- InChI Key： QCGSVWIJYCMCFM-UHFFFAOYSA-N
- SMILES： C(C)(C(=C)C1C=CC=CC=1)CCC
Computed Properties
- Exact Mass: 174.140850574g/mol
- 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: 4
- Complexity: 151
- 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: 5.2
- Topological Polar Surface Area: 0?2
Benzene, (2-methyl-1-methylenepentyl)- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
917836-73-8 (Benzene, (2-methyl-1-methylenepentyl)-) Related Products
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