Cas no 94201-29-3 (1-Cyclopentene-1-propanal,a,3,5,5-tetramethyl-)
94201-29-3 structure
Product Name:1-Cyclopentene-1-propanal,a,3,5,5-tetramethyl-
CAS No:94201-29-3
MF:C12H20O
MW:180.286603927612
CID:817368
PubChem ID:44150495
Update Time:2025-04-19
1-Cyclopentene-1-propanal,a,3,5,5-tetramethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Cyclopentene-1-propanal,a,3,5,5-tetramethyl-
- 2-methyl-3-(3,5,5-trimethylcyclopenten-1-yl)propanal
- alpha,3,5,5-tetramethylcyclopent-1-ene-1-propionaldehyde
- 2-METHYL-3-(3,5,5-TRIMETHYLCYCLOPENT-1-EN-1-YL)PROPANAL
- NS00066300
- DTXSID40916136
- 94201-29-3
- EINECS 303-613-4
-
- Inchi： 1S/C12H20O/c1-9-5-11(6-10(2)8-13)12(3,4)7-9/h5,8-10H,6-7H2,1-4H3
- InChI Key： XEDQNLKJECJKGT-UHFFFAOYSA-N
- SMILES： O=CC(C)CC1=CC(C)CC1(C)C
Computed Properties
- Exact Mass: 180.151
- Monoisotopic Mass: 180.151
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 225
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 2.9
- Topological Polar Surface Area: 17.1A^2
Experimental Properties
- Density: 0.872
- Boiling Point: 232°Cat760mmHg
- Flash Point: 91.8°C
- Refractive Index: 1.448
1-Cyclopentene-1-propanal,a,3,5,5-tetramethyl- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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