ethane

C14H42 — CID 142060701

IUPACethane
SMILESCC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/7C2H6/c7*1-2/h7*1-2H3
InChIKeyBQNNVINPTLTILY-UHFFFAOYSA-N
MW210.49 g/mol
LogP7.18
Rot. Bonds

About ethane

ethane (PubChem CID 142060701) has the molecular formula C14H42 and a molecular weight of 210.49 g/mol. Its IUPAC name is ethane.

Molecular Properties

Compound Nameethane
PubChem CID142060701
Molecular FormulaC14H42
Molecular Weight210.49 g/mol
Exact Mass210.33
IUPAC Nameethane
SMILESCC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/7C2H6/c7*1-2/h7*1-2H3
InChIKeyBQNNVINPTLTILY-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.49
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane?
The IUPAC name of ethane (CID 142060701) is ethane.
What is the SMILES notation for ethane?
The canonical SMILES for ethane is CC.CC.CC.CC.CC.CC.CC.
What is the InChIKey of ethane?
The InChIKey is BQNNVINPTLTILY-UHFFFAOYSA-N. The full InChI is InChI=1S/7C2H6/c7*1-2/h7*1-2H3.
What are the key properties of ethane?
ethane has a molecular weight of 210.49 g/mol, XLogP of 7.18, 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 142060701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).