ethane;2-(hydroxymethyl)cyclopentan-1-one

C8H16O2 — CID 144825908

IUPACethane;2-(hydroxymethyl)cyclopentan-1-one
SMILESCC.O=C1CCCC1CO
InChIInChI=1S/C6H10O2.C2H6/c7-4-5-2-1-3-6(5)8;1-2/h5,7H,1-4H2;1-2H3
InChIKeyUXRQPLDYILWEAD-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.37
Rot. Bonds1

About ethane;2-(hydroxymethyl)cyclopentan-1-one

ethane;2-(hydroxymethyl)cyclopentan-1-one (PubChem CID 144825908) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is ethane;2-(hydroxymethyl)cyclopentan-1-one.

Molecular Properties

Compound Nameethane;2-(hydroxymethyl)cyclopentan-1-one
PubChem CID144825908
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Nameethane;2-(hydroxymethyl)cyclopentan-1-one
SMILESCC.O=C1CCCC1CO
InChIInChI=1S/C6H10O2.C2H6/c7-4-5-2-1-3-6(5)8;1-2/h5,7H,1-4H2;1-2H3
InChIKeyUXRQPLDYILWEAD-UHFFFAOYSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;2-(hydroxymethyl)cyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(hydroxymethyl)cycloheptan-1-one
CID 13140470
2,4-dimethylpent-1-ene;2-(hydroxymethyl)cyclohexan-1-one
CID 143288514
2-(2-hydroxypropyl)cyclopentan-1-one
CID 79429477
2-[2-(hydroxymethyl)butyl]cyclopentan-1-one
CID 174460442
2-(hydroxymethyl)cyclohexane-1,3-dione
CID 130028608
2-[(E)-4-(2-oxocyclopentyl)but-2-enyl]cyclopentan-1-one
CID 166722235
(2S)-2-(2-fluoroethyl)cyclopentan-1-one
CID 97052906
2-(2-methylidenebutyl)cyclopentan-1-one
CID 66046925
2-ethylcyclodecane-1,6-dione
CID 141347956
trimethyl-[[(1R)-2-oxocyclopentyl]methyl]azanium iodide
CID 53298307
2-[(4-methylphenyl)methyl]cyclopentan-1-one
CID 18714737
(2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one
CID 915648

Frequently Asked Questions

What is the IUPAC name of ethane;2-(hydroxymethyl)cyclopentan-1-one?
The IUPAC name of ethane;2-(hydroxymethyl)cyclopentan-1-one (CID 144825908) is ethane;2-(hydroxymethyl)cyclopentan-1-one.
What is the SMILES notation for ethane;2-(hydroxymethyl)cyclopentan-1-one?
The canonical SMILES for ethane;2-(hydroxymethyl)cyclopentan-1-one is CC.O=C1CCCC1CO.
What is the InChIKey of ethane;2-(hydroxymethyl)cyclopentan-1-one?
The InChIKey is UXRQPLDYILWEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C2H6/c7-4-5-2-1-3-6(5)8;1-2/h5,7H,1-4H2;1-2H3.
What are the key properties of ethane;2-(hydroxymethyl)cyclopentan-1-one?
ethane;2-(hydroxymethyl)cyclopentan-1-one has a molecular weight of 144.21 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(hydroxymethyl)cyclopentan-1-one is sourced from PubChem (CID 144825908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).