Cas no 87103-46-6 (Cyclohexanone, 4-(1,1,3,3-tetramethylbutyl)-)
87103-46-6 structure
Product Name:Cyclohexanone, 4-(1,1,3,3-tetramethylbutyl)-
CAS No:87103-46-6
MF:C14H26O
MW:210.355644702911
CID:1870194
PubChem ID:19693931
Update Time:2025-04-21
Cyclohexanone, 4-(1,1,3,3-tetramethylbutyl)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanone, 4-(1,1,3,3-tetramethylbutyl)-
- 4-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-one
- WBFJYRIXOUDZDJ-UHFFFAOYSA-N
- 4-(1,1,3,3-tetramethylbutyl)cyclohexanone
- SCHEMBL8706325
- DTXSID80599265
- 87103-46-6
-
- Inchi： 1S/C14H26O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h11H,6-10H2,1-5H3
- InChI Key： WBFJYRIXOUDZDJ-UHFFFAOYSA-N
- SMILES： O=C1CCC(CC1)C(C)(C)CC(C)(C)C
Computed Properties
- Exact Mass: 210.198365449Da
- Monoisotopic Mass: 210.198365449Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 222
- 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: 4.1
- Topological Polar Surface Area: 17.1?2
Cyclohexanone, 4-(1,1,3,3-tetramethylbutyl)- Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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