Cas no 54323-26-1 (Cyclohexenecarboxaldehyde,(4-methyl-3-penten-1-yl)-)
54323-26-1 structure
Product Name:Cyclohexenecarboxaldehyde,(4-methyl-3-penten-1-yl)-
CAS No:54323-26-1
MF:C13H20O
MW:192.297304153442
CID:368920
PubChem ID:108236
Update Time:2025-04-19
Cyclohexenecarboxaldehyde,(4-methyl-3-penten-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexenecarboxaldehyde,(4-methyl-3-penten-1-yl)-
- (4-methyl-3-pentenyl)cyclohexenecarbaldehyde
- 4-(4-Methyl-3-pentenyl)-3-cyclohexene-1-carboxaldehyde
- 4-methyl-3-(pent-3-en-1-yl)cyclohex-1-ene-1-carbaldehyde
- Cyclohexenecarboxaldehyde, (4-methyl-3-pentenyl)-
- 54323-26-1
- 866774-41-6
- EINECS 259-101-5
- Cyclohexenecarboxaldehyde, (4-methyl-3-penten-1-yl)-
- DTXSID20276048
-
- Inchi： 1S/C13H20O/c1-3-4-5-6-13-9-12(10-14)8-7-11(13)2/h3-4,9-11,13H,5-8H2,1-2H3
- InChI Key： QBOPCAJPPUDVNQ-UHFFFAOYSA-N
- SMILES： O=CC1=CC(CCC=CC)C(C)CC1
Computed Properties
- Exact Mass: 192.1515
- Monoisotopic Mass: 192.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 238
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3.6
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Cyclohexenecarboxaldehyde,(4-methyl-3-penten-1-yl)- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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