ethane;dihydrate

C4H16O2 — CID 143683036

IUPACethane;dihydrate
SMILESCC.CC.O.O
InChIInChI=1S/2C2H6.2H2O/c2*1-2;;/h2*1-2H3;2*1H2
InChIKeyWUJUBYUADGFXEL-UHFFFAOYSA-N
MW96.17 g/mol
LogP0.40
Rot. Bonds

About ethane;dihydrate

ethane;dihydrate (PubChem CID 143683036) has the molecular formula C4H16O2 and a molecular weight of 96.17 g/mol. Its IUPAC name is ethane;dihydrate.

Molecular Properties

Compound Nameethane;dihydrate
PubChem CID143683036
Molecular FormulaC4H16O2
Molecular Weight96.17 g/mol
Exact Mass96.12
IUPAC Nameethane;dihydrate
SMILESCC.CC.O.O
InChIInChI=1S/2C2H6.2H2O/c2*1-2;;/h2*1-2H3;2*1H2
InChIKeyWUJUBYUADGFXEL-UHFFFAOYSA-N
XLogP0.40
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;dihydrate?
The IUPAC name of ethane;dihydrate (CID 143683036) is ethane;dihydrate.
What is the SMILES notation for ethane;dihydrate?
The canonical SMILES for ethane;dihydrate is CC.CC.O.O.
What is the InChIKey of ethane;dihydrate?
The InChIKey is WUJUBYUADGFXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H6.2H2O/c2*1-2;;/h2*1-2H3;2*1H2.
What are the key properties of ethane;dihydrate?
ethane;dihydrate has a molecular weight of 96.17 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;dihydrate is sourced from PubChem (CID 143683036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).