Cas no 93857-91-1 (Pentanoic acid,3-cyclohexylpropyl ester)
93857-91-1 structure
Product Name:Pentanoic acid,3-cyclohexylpropyl ester
CAS No:93857-91-1
MF:C14H26O2
MW:226.355044841766
CID:806304
PubChem ID:3022685
Update Time:2025-04-19
Pentanoic acid,3-cyclohexylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid,3-cyclohexylpropyl ester
- 3-cyclohexylpropyl pentanoate
- 3-cyclohexylpropyl valerate
- DTXSID40239796
- EINECS 299-225-7
- NS00039694
- Pentanoic acid, 3-cyclohexylpropyl ester
- JTY32EXJ4D
- 93857-91-1
-
- Inchi： 1S/C14H26O2/c1-2-3-11-14(15)16-12-7-10-13-8-5-4-6-9-13/h13H,2-12H2,1H3
- InChI Key： ZUSLCRLGEUGVDK-UHFFFAOYSA-N
- SMILES： O(C(CCCC)=O)CCCC1CCCCC1
Computed Properties
- Exact Mass: 226.193280068g/mol
- Monoisotopic Mass: 226.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 8
- Complexity: 183
- 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: 4.9
- Topological Polar Surface Area: 26.3?2
Pentanoic acid,3-cyclohexylpropyl ester Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
93857-91-1 (Pentanoic acid,3-cyclohexylpropyl ester) Related Products
- 109-19-3(Butyl 3-methylbutanoate)
- 106-27-4(Isopentyl butyrate)
- 1341-38-4(6-Methylheptyl palmitate)
- 5870-68-8(Ethyl 3-Methylvalerate)
- 10138-59-7(1,2-Cyclohexanedicarboxylic Acid Diethyl Ester)
- 103-23-1(Bis(2-ethylhexyl)adipate)
- 14352-61-5(Methylcyclohexaneacetate)
- 557-00-6(propyl isovalerate)
- 659-70-1(Isopentyl 3-methylbutanoate)
- 2035-99-6(Isopentyl octanoate)
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