formic acid;3-(1-hydroxyethyl)cyclopentan-1-one

C8H14O4 — CID 174506059

IUPACformic acid;3-(1-hydroxyethyl)cyclopentan-1-one
SMILESCC(O)C1CCC(=O)C1.O=CO
InChIInChI=1S/C7H12O2.CH2O2/c1-5(8)6-2-3-7(9)4-6;2-1-3/h5-6,8H,2-4H2,1H3;1H,(H,2,3)
InChIKeyWQPGASSWIKIECF-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.44
Rot. Bonds1

About formic acid;3-(1-hydroxyethyl)cyclopentan-1-one

formic acid;3-(1-hydroxyethyl)cyclopentan-1-one (PubChem CID 174506059) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is formic acid;3-(1-hydroxyethyl)cyclopentan-1-one.

Molecular Properties

Compound Nameformic acid;3-(1-hydroxyethyl)cyclopentan-1-one
PubChem CID174506059
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Nameformic acid;3-(1-hydroxyethyl)cyclopentan-1-one
SMILESCC(O)C1CCC(=O)C1.O=CO
InChIInChI=1S/C7H12O2.CH2O2/c1-5(8)6-2-3-7(9)4-6;2-1-3/h5-6,8H,2-4H2,1H3;1H,(H,2,3)
InChIKeyWQPGASSWIKIECF-UHFFFAOYSA-N
XLogP0.44
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(1-hydroxyethyl)cyclopentan-1-one
CID 76687141
(3S)-3-(1-hydroxy-2-methylpropyl)cyclopentan-1-one
CID 58072083
(3S)-3-propan-2-ylcyclopentan-1-one
CID 10855459
methyl (2S)-2-hydroxy-2-[(1R)-3-oxocyclopentyl]acetate
CID 11629667
3-(1-methylsulfanylprop-2-enyl)cyclopentan-1-one
CID 12715926
2-(3-oxocyclopentyl)propanenitrile
CID 13075149
3-[3-[(1S)-1-hydroxyethyl]azetidin-1-yl]-4-methylcyclohexan-1-one
CID 165496137
4-(2,4-dimethylpentan-3-yl)cyclohexan-1-one
CID 58749642
tert-butyl N-[1-(3-oxocyclopentyl)ethyl]carbamate
CID 178200958
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclohexan-1-one
CID 112626556
5,6-dihydroxy-2-(1-hydroxyethyl)-9-methyl-1,2,3,4-tetrahydrobenzo[7]annulen-7-one
CID 71468573
4-(2-methylpropyl)cyclohexan-1-one
CID 14740079

Frequently Asked Questions

What is the IUPAC name of formic acid;3-(1-hydroxyethyl)cyclopentan-1-one?
The IUPAC name of formic acid;3-(1-hydroxyethyl)cyclopentan-1-one (CID 174506059) is formic acid;3-(1-hydroxyethyl)cyclopentan-1-one.
What is the SMILES notation for formic acid;3-(1-hydroxyethyl)cyclopentan-1-one?
The canonical SMILES for formic acid;3-(1-hydroxyethyl)cyclopentan-1-one is CC(O)C1CCC(=O)C1.O=CO.
What is the InChIKey of formic acid;3-(1-hydroxyethyl)cyclopentan-1-one?
The InChIKey is WQPGASSWIKIECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.CH2O2/c1-5(8)6-2-3-7(9)4-6;2-1-3/h5-6,8H,2-4H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;3-(1-hydroxyethyl)cyclopentan-1-one?
formic acid;3-(1-hydroxyethyl)cyclopentan-1-one has a molecular weight of 174.20 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-(1-hydroxyethyl)cyclopentan-1-one is sourced from PubChem (CID 174506059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).