Cas no 33156-91-1 (6-butylcyclohepta-1,4-diene)
6-butylcyclohepta-1,4-diene structure
Product Name:6-butylcyclohepta-1,4-diene
CAS No:33156-91-1
MF:C11H18
MW:150.260623455048
CID:1455329
PubChem ID:11804943
Update Time:2025-04-20
6-butylcyclohepta-1,4-diene Chemical and Physical Properties
Names and Identifiers
-
- 6-butylcyclohepta-1,4-diene
- 1,4-cycloheptadiene, 6-butyl-
- 1β-Butyl-2,5-cycloheptadiene
- DTXSID60954772
- 33156-91-1
- (R)-6-Butyl-1,4-cycloheptadiene
- 1,4-Cycloheptadiene, 6-butyl-, (R)-
- (-)-(6R)-Butyl-cyclohepta-1,4-diene
- Dictyopterene C'
-
- Inchi： 1S/C11H18/c1-2-3-8-11-9-6-4-5-7-10-11/h4,6-7,10-11H,2-3,5,8-9H2,1H3/t11-/m1/s1
- InChI Key： IRKYSUMPMNRVDS-LLVKDONJSA-N
- SMILES： [C@@H]1(C=CCC=CC1)CCCC
Computed Properties
- Exact Mass: 150.14094
- Monoisotopic Mass: 150.141
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 142
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0A^2
- XLogP3: 4.4
Experimental Properties
- Density: 0.828
- Boiling Point: 206.7°C at 760 mmHg
- Flash Point: 56°C
- Refractive Index: 1.464
- PSA: 0
6-butylcyclohepta-1,4-diene Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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