Cas no 37435-26-0 (2-tert-butylcyclohexane-1,3-dione)
37435-26-0 structure
Product Name:2-tert-butylcyclohexane-1,3-dione
CAS No:37435-26-0
MF:C10H16O2
MW:168.232843399048
CID:1483170
PubChem ID:142159
Update Time:2025-04-21
2-tert-butylcyclohexane-1,3-dione Chemical and Physical Properties
Names and Identifiers
-
- 2-tert-butylcyclohexane-1,3-dione
- 1,3-Cyclohexanedione, 2-(1,1-dimethylethyl)-
- SCHEMBL25101184
- 1,3-Cyclohexanedione,2-(1,1-dimethylethyl)-
- DTXSID90190883
- DB-278915
- 37435-26-0
-
- Inchi： 1S/C10H16O2/c1-10(2,3)9-7(11)5-4-6-8(9)12/h9H,4-6H2,1-3H3
- InChI Key： HBFVJBNHZRPGBS-UHFFFAOYSA-N
- SMILES： O=C1CCCC(C1C(C)(C)C)=O
Computed Properties
- Exact Mass: 168.11508
- Monoisotopic Mass: 168.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 194
- 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
- XLogP3: 1.7
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
2-tert-butylcyclohexane-1,3-dione Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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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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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
37435-26-0 (2-tert-butylcyclohexane-1,3-dione) Related Products
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- 874-23-7(2-acetylcyclohexan-1-one)
- 7307-04-2(5,5-Dimethylhexane-2,4-dione)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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