ethane;molecular hydrogen;hydrate

C2H10O — CID 143324893

IUPACethane;molecular hydrogen;hydrate
SMILESCC.O.[H][H]
InChIInChI=1S/C2H6.H2O.H2/c1-2;;/h1-2H3;1H2;1H
InChIKeyITNFGHWQDJKMLW-UHFFFAOYSA-N
MW50.10 g/mol
LogP0.45
Rot. Bonds

About ethane;molecular hydrogen;hydrate

ethane;molecular hydrogen;hydrate (PubChem CID 143324893) has the molecular formula C2H10O and a molecular weight of 50.10 g/mol. Its IUPAC name is ethane;molecular hydrogen;hydrate.

Molecular Properties

Compound Nameethane;molecular hydrogen;hydrate
PubChem CID143324893
Molecular FormulaC2H10O
Molecular Weight50.10 g/mol
Exact Mass50.07
IUPAC Nameethane;molecular hydrogen;hydrate
SMILESCC.O.[H][H]
InChIInChI=1S/C2H6.H2O.H2/c1-2;;/h1-2H3;1H2;1H
InChIKeyITNFGHWQDJKMLW-UHFFFAOYSA-N
XLogP0.45
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50050.10
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;hydrate?
The IUPAC name of ethane;molecular hydrogen;hydrate (CID 143324893) is ethane;molecular hydrogen;hydrate.
What is the SMILES notation for ethane;molecular hydrogen;hydrate?
The canonical SMILES for ethane;molecular hydrogen;hydrate is CC.O.[H][H].
What is the InChIKey of ethane;molecular hydrogen;hydrate?
The InChIKey is ITNFGHWQDJKMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6.H2O.H2/c1-2;;/h1-2H3;1H2;1H.
What are the key properties of ethane;molecular hydrogen;hydrate?
ethane;molecular hydrogen;hydrate has a molecular weight of 50.10 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;hydrate is sourced from PubChem (CID 143324893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).