Cas no 6553-83-9 (pentyl cyclohexanecarboxylate)
pentyl cyclohexanecarboxylate structure
Product Name:pentyl cyclohexanecarboxylate
pentyl cyclohexanecarboxylate Chemical and Physical Properties
Names and Identifiers
-
- pentyl cyclohexanecarboxylate
- EINECS 229-478-0
- Cyclohexanecarboxylic acid, pentyl ester
- 6553-83-9
- Cyclohexanecarboxylic acid pentyl ester
- Pentyl cyclohexanecarboxylate #
- AI3-33531
- SCHEMBL2249573
- DTXSID70215826
- NS00035886
-
- Inchi： 1S/C12H22O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h11H,2-10H2,1H3
- InChI Key： QLFARUWYJWNPLX-UHFFFAOYSA-N
- SMILES： O(CCCCC)C(C1CCCCC1)=O
Computed Properties
- Exact Mass: 198.16206
- Monoisotopic Mass: 198.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 160
- 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
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
pentyl cyclohexanecarboxylate Related Literature
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
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
6553-83-9 (pentyl cyclohexanecarboxylate) Related Products
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- 14924-53-9(Ethyl cyclobutanecarboxylate)
- 1687-29-2(Dimethyl cis-1,2-Cyclohexanedicarboxylate)
- 1187-74-2(Acetonyl-succinic Acid Diethyl Ester)
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