pentane

C5H12 — CID 8003

IUPACpentane
SMILESCCCCC
InChIInChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
InChIKeyOFBQJSOFQDEBGM-UHFFFAOYSA-N
MW72.15 g/mol
LogP2.20
Rot. Bonds2

About pentane

pentane (PubChem CID 8003) has the molecular formula C5H12 and a molecular weight of 72.15 g/mol. Its IUPAC name is pentane.

Molecular Properties

Compound Namepentane
PubChem CID8003
Molecular FormulaC5H12
Molecular Weight72.15 g/mol
Exact Mass72.09
IUPAC Namepentane
SMILESCCCCC
InChIInChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
InChIKeyOFBQJSOFQDEBGM-UHFFFAOYSA-N
XLogP2.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.15
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze pentane 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 pentane?
The IUPAC name of pentane (CID 8003) is pentane.
What is the SMILES notation for pentane?
The canonical SMILES for pentane is CCCCC.
What is the InChIKey of pentane?
The InChIKey is OFBQJSOFQDEBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3.
What are the key properties of pentane?
pentane has a molecular weight of 72.15 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentane is sourced from PubChem (CID 8003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).