Cas no 406179-70-2 (5-{[5-Methyl-2-(propan-2-yl)cyclohexyl]oxy}-5-oxopentanoate)
406179-70-2 structure
Product Name:5-{[5-Methyl-2-(propan-2-yl)cyclohexyl]oxy}-5-oxopentanoate
CAS No:406179-70-2
MF:C15H25O4
MW:269.356605291367
CID:2633262
PubChem ID:18714537
Update Time:2025-04-21
5-{[5-Methyl-2-(propan-2-yl)cyclohexyl]oxy}-5-oxopentanoate Chemical and Physical Properties
Names and Identifiers
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- 5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-5-oxopentanoate
- 406179-70-2
- 5-{[5-Methyl-2-(propan-2-yl)cyclohexyl]oxy}-5-oxopentanoate
- CTMTYSVTTGVYAW-UHFFFAOYSA-M
- DTXSID90595798
-
- Inchi: 1S/C15H26O4/c1-10(2)12-8-7-11(3)9-13(12)19-15(18)6-4-5-14(16)17/h10-13H,4-9H2,1-3H3,(H,16,17)/p-1
- InChI Key: CTMTYSVTTGVYAW-UHFFFAOYSA-M
- SMILES: O(C(CCCC(=O)[O-])=O)C1CC(C)CCC1C(C)C
Computed Properties
- Exact Mass: 269.17528427Da
- Monoisotopic Mass: 269.17528427Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 306
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4
- Topological Polar Surface Area: 66.4?2
5-{[5-Methyl-2-(propan-2-yl)cyclohexyl]oxy}-5-oxopentanoate Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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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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