ethene;molecular hydrogen;hydrate

C2H8O — CID 169428675

IUPACethene;molecular hydrogen;hydrate
SMILESC=C.O.[H][H]
InChIInChI=1S/C2H4.H2O.H2/c1-2;;/h1-2H2;1H2;1H
InChIKeyAAXSBQWXMHLPHV-UHFFFAOYSA-N
MW48.09 g/mol
LogP0.22
Rot. Bonds

About ethene;molecular hydrogen;hydrate

ethene;molecular hydrogen;hydrate (PubChem CID 169428675) has the molecular formula C2H8O and a molecular weight of 48.09 g/mol. Its IUPAC name is ethene;molecular hydrogen;hydrate.

Molecular Properties

Compound Nameethene;molecular hydrogen;hydrate
PubChem CID169428675
Molecular FormulaC2H8O
Molecular Weight48.09 g/mol
Exact Mass48.06
IUPAC Nameethene;molecular hydrogen;hydrate
SMILESC=C.O.[H][H]
InChIInChI=1S/C2H4.H2O.H2/c1-2;;/h1-2H2;1H2;1H
InChIKeyAAXSBQWXMHLPHV-UHFFFAOYSA-N
XLogP0.22
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50048.09
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;molecular hydrogen;hydrate?
The IUPAC name of ethene;molecular hydrogen;hydrate (CID 169428675) is ethene;molecular hydrogen;hydrate.
What is the SMILES notation for ethene;molecular hydrogen;hydrate?
The canonical SMILES for ethene;molecular hydrogen;hydrate is C=C.O.[H][H].
What is the InChIKey of ethene;molecular hydrogen;hydrate?
The InChIKey is AAXSBQWXMHLPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4.H2O.H2/c1-2;;/h1-2H2;1H2;1H.
What are the key properties of ethene;molecular hydrogen;hydrate?
ethene;molecular hydrogen;hydrate has a molecular weight of 48.09 g/mol, XLogP of 0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;molecular hydrogen;hydrate is sourced from PubChem (CID 169428675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).