Cas no 178160-84-4 (1,5-Cyclohexadiene-1-carboxaldehyde, 3,3,5-trimethyl- (9CI))
178160-84-4 structure
Product Name:1,5-Cyclohexadiene-1-carboxaldehyde, 3,3,5-trimethyl- (9CI)
CAS No:178160-84-4
MF:C10H14O
MW:150.217563152313
CID:112809
PubChem ID:45083687
Update Time:2025-04-18
1,5-Cyclohexadiene-1-carboxaldehyde, 3,3,5-trimethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1,5-Cyclohexadiene-1-carboxaldehyde, 3,3,5-trimethyl- (9CI)
- 1,5-Cyclohexadiene-1-carboxaldehyde,3,3,5-trimethyl-
- 178160-84-4
- 1,5-Cyclohexadiene-1-carboxaldehyde,3,3,5-trimethyl-(9ci)
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- Inchi： 1S/C10H14O/c1-8-4-9(7-11)6-10(2,3)5-8/h4,6-7H,5H2,1-3H3
- InChI Key： AKOQXQFSBKLUHE-UHFFFAOYSA-N
- SMILES： O=CC1C=C(C)CC(C)(C)C=1
Computed Properties
- Exact Mass: 150.10452
- Monoisotopic Mass: 150.104
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 231
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1A^2
- XLogP3: 2.1
Experimental Properties
- PSA: 17.07
1,5-Cyclohexadiene-1-carboxaldehyde, 3,3,5-trimethyl- (9CI) Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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