cyclopentanone;ethane-1,2-diol

C7H14O3 — CID 160614411

IUPACcyclopentanone;ethane-1,2-diol
SMILESO=C1CCCC1.OCCO
InChIInChI=1S/C5H8O.C2H6O2/c6-5-3-1-2-4-5;3-1-2-4/h1-4H2;3-4H,1-2H2
InChIKeyRFXAVVNZYPKXAY-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.10
Rot. Bonds1

About cyclopentanone;ethane-1,2-diol

cyclopentanone;ethane-1,2-diol (PubChem CID 160614411) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is cyclopentanone;ethane-1,2-diol.

Molecular Properties

Compound Namecyclopentanone;ethane-1,2-diol
PubChem CID160614411
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Namecyclopentanone;ethane-1,2-diol
SMILESO=C1CCCC1.OCCO
InChIInChI=1S/C5H8O.C2H6O2/c6-5-3-1-2-4-5;3-1-2-4/h1-4H2;3-4H,1-2H2
InChIKeyRFXAVVNZYPKXAY-UHFFFAOYSA-N
XLogP0.10
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cyclopentanone;ethane-1,2-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopentanone;ethane-1,2-diol?
The IUPAC name of cyclopentanone;ethane-1,2-diol (CID 160614411) is cyclopentanone;ethane-1,2-diol.
What is the SMILES notation for cyclopentanone;ethane-1,2-diol?
The canonical SMILES for cyclopentanone;ethane-1,2-diol is O=C1CCCC1.OCCO.
What is the InChIKey of cyclopentanone;ethane-1,2-diol?
The InChIKey is RFXAVVNZYPKXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.C2H6O2/c6-5-3-1-2-4-5;3-1-2-4/h1-4H2;3-4H,1-2H2.
What are the key properties of cyclopentanone;ethane-1,2-diol?
cyclopentanone;ethane-1,2-diol has a molecular weight of 146.19 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanone;ethane-1,2-diol is sourced from PubChem (CID 160614411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).