Cas no 62094-88-6 (Cyclohexanone, 4-(1-hydroxyethyl)-3,3,5,5-tetramethyl-)
62094-88-6 structure
Product Name:Cyclohexanone, 4-(1-hydroxyethyl)-3,3,5,5-tetramethyl-
CAS No:62094-88-6
MF:C12H22O2
MW:198.301884174347
CID:458391
PubChem ID:71390031
Update Time:2025-04-19
Cyclohexanone, 4-(1-hydroxyethyl)-3,3,5,5-tetramethyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanone, 4-(1-hydroxyethyl)-3,3,5,5-tetramethyl-
- 4-(1-hydroxyethyl)-3,3,5,5-tetramethylcyclohexan-1-one
- DTXSID00811971
- 62094-88-6
-
- Inchi： 1S/C12H22O2/c1-8(13)10-11(2,3)6-9(14)7-12(10,4)5/h8,10,13H,6-7H2,1-5H3
- InChI Key： HATDKLFKYQSPQR-UHFFFAOYSA-N
- SMILES： OC(C)C1C(C)(C)CC(CC1(C)C)=O
Computed Properties
- Exact Mass: 198.16206
- Monoisotopic Mass: 198.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 221
- 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: 2.1
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Cyclohexanone, 4-(1-hydroxyethyl)-3,3,5,5-tetramethyl- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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