ethane

C2H5+ — CID 4266598

IUPACethane
SMILES[CH2+]C
InChIInChI=1S/C2H5/c1-2/h1H2,2H3/q+1
InChIKeyYQHHCMVUMULAPZ-UHFFFAOYSA-N
MW29.06 g/mol
LogP0.84
Rot. Bonds

About ethane

ethane (PubChem CID 4266598) has the molecular formula C2H5+ and a molecular weight of 29.06 g/mol. Its IUPAC name is ethane.

Molecular Properties

Compound Nameethane
PubChem CID4266598
Molecular FormulaC2H5+
Molecular Weight29.06 g/mol
Exact Mass29.04
IUPAC Nameethane
SMILES[CH2+]C
InChIInChI=1S/C2H5/c1-2/h1H2,2H3/q+1
InChIKeyYQHHCMVUMULAPZ-UHFFFAOYSA-N
XLogP0.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms2
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50029.06
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane?
The IUPAC name of ethane (CID 4266598) is ethane.
What is the SMILES notation for ethane?
The canonical SMILES for ethane is [CH2+]C.
What is the InChIKey of ethane?
The InChIKey is YQHHCMVUMULAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5/c1-2/h1H2,2H3/q+1.
What are the key properties of ethane?
ethane has a molecular weight of 29.06 g/mol, XLogP of 0.84, 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 4266598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).