ethane

C22H66 — CID 142046480

IUPACethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/11C2H6/c11*1-2/h11*1-2H3
InChIKeyGEOOKDBSAJPCFE-UHFFFAOYSA-N
MW330.77 g/mol
LogP11.29
Rot. Bonds

About ethane

ethane (PubChem CID 142046480) has the molecular formula C22H66 and a molecular weight of 330.77 g/mol. Its IUPAC name is ethane.

Molecular Properties

Compound Nameethane
PubChem CID142046480
Molecular FormulaC22H66
Molecular Weight330.77 g/mol
Exact Mass330.52
IUPAC Nameethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/11C2H6/c11*1-2/h11*1-2H3
InChIKeyGEOOKDBSAJPCFE-UHFFFAOYSA-N
XLogP11.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.77
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane 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 ethane?
The IUPAC name of ethane (CID 142046480) is ethane.
What is the SMILES notation for ethane?
The canonical SMILES for ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.
What is the InChIKey of ethane?
The InChIKey is GEOOKDBSAJPCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/11C2H6/c11*1-2/h11*1-2H3.
What are the key properties of ethane?
ethane has a molecular weight of 330.77 g/mol, XLogP of 11.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane is sourced from PubChem (CID 142046480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).