Cas no 5451-86-5 (Pentanoic acid,(tetrahydro-2-furanyl)methyl ester)
5451-86-5 structure
Product Name:Pentanoic acid,(tetrahydro-2-furanyl)methyl ester
CAS No:5451-86-5
MF:C10H18O3
MW:186.248123645782
CID:380579
PubChem ID:228753
Update Time:2025-04-19
Pentanoic acid,(tetrahydro-2-furanyl)methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid,(tetrahydro-2-furanyl)methyl ester
- 1-(1H-Imidazol-2-yl)-1-pentanone
- 1-(1H-imidazol-2-yl)-pentan-1-one
- 1-Pentanone, 1-(1H-imidazol-2-yl)-
- 2-Valerylimidazol
- 2-Valerylimidazole
- 2-valeryloximethyl-tetrahydro-furan
- 2-Valeryloxymethyl-tetrahydro-furan
- AC1LC7LH
- SureCN7589893
- tetrahydrofurfuryl pentanoate
- NSC-21871
- Tetrahydro-2-furanylmethyl pentanoate #
- SCHEMBL154213
- 5451-86-5
- OEVTUVJILMZZJR-UHFFFAOYSA-N
- NSC21871
- Valeric acid, 2-tetrahydrofurylmethyl ester
-
- Inchi： 1S/C10H18O3/c1-2-3-6-10(11)13-8-9-5-4-7-12-9/h9H,2-8H2,1H3
- InChI Key： OEVTUVJILMZZJR-UHFFFAOYSA-N
- SMILES： O1CCCC1COC(CCCC)=O
Computed Properties
- Exact Mass: 186.12564
- Monoisotopic Mass: 186.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 156
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Pentanoic acid,(tetrahydro-2-furanyl)methyl ester Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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