1-[1-(hydroxymethyl)cyclopentyl]ethanone

C8H14O2 — CID 86023502

IUPAC1-[1-(hydroxymethyl)cyclopentyl]ethanone
SMILESCC(=O)C1(CO)CCCC1
InChIInChI=1S/C8H14O2/c1-7(10)8(6-9)4-2-3-5-8/h9H,2-6H2,1H3
InChIKeyPRAZJUJUFUXXRP-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.13
Rot. Bonds2

About 1-[1-(hydroxymethyl)cyclopentyl]ethanone

1-[1-(hydroxymethyl)cyclopentyl]ethanone (PubChem CID 86023502) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-[1-(hydroxymethyl)cyclopentyl]ethanone.

Molecular Properties

Compound Name1-[1-(hydroxymethyl)cyclopentyl]ethanone
PubChem CID86023502
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1-[1-(hydroxymethyl)cyclopentyl]ethanone
SMILESCC(=O)C1(CO)CCCC1
InChIInChI=1S/C8H14O2/c1-7(10)8(6-9)4-2-3-5-8/h9H,2-6H2,1H3
InChIKeyPRAZJUJUFUXXRP-UHFFFAOYSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(hydroxymethyl)cyclopentyl]ethanone?
The IUPAC name of 1-[1-(hydroxymethyl)cyclopentyl]ethanone (CID 86023502) is 1-[1-(hydroxymethyl)cyclopentyl]ethanone.
What is the SMILES notation for 1-[1-(hydroxymethyl)cyclopentyl]ethanone?
The canonical SMILES for 1-[1-(hydroxymethyl)cyclopentyl]ethanone is CC(=O)C1(CO)CCCC1.
What is the InChIKey of 1-[1-(hydroxymethyl)cyclopentyl]ethanone?
The InChIKey is PRAZJUJUFUXXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-7(10)8(6-9)4-2-3-5-8/h9H,2-6H2,1H3.
What are the key properties of 1-[1-(hydroxymethyl)cyclopentyl]ethanone?
1-[1-(hydroxymethyl)cyclopentyl]ethanone has a molecular weight of 142.20 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(hydroxymethyl)cyclopentyl]ethanone is sourced from PubChem (CID 86023502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).