ethanol;tetrahydrate

C2H14O5 — CID 57443785

IUPACethanol;tetrahydrate
SMILESCCO.O.O.O.O
InChIInChI=1S/C2H6O.4H2O/c1-2-3;;;;/h3H,2H2,1H3;4*1H2
InChIKeyQPNLLKBRNVXMCG-UHFFFAOYSA-N
MW118.13 g/mol
LogP-3.30
Rot. Bonds

About ethanol;tetrahydrate

ethanol;tetrahydrate (PubChem CID 57443785) has the molecular formula C2H14O5 and a molecular weight of 118.13 g/mol. Its IUPAC name is ethanol;tetrahydrate.

Molecular Properties

Compound Nameethanol;tetrahydrate
PubChem CID57443785
Molecular FormulaC2H14O5
Molecular Weight118.13 g/mol
Exact Mass118.08
IUPAC Nameethanol;tetrahydrate
SMILESCCO.O.O.O.O
InChIInChI=1S/C2H6O.4H2O/c1-2-3;;;;/h3H,2H2,1H3;4*1H2
InChIKeyQPNLLKBRNVXMCG-UHFFFAOYSA-N
XLogP-3.30
TPSA146.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 5-3.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethanol;tetrahydrate?
The IUPAC name of ethanol;tetrahydrate (CID 57443785) is ethanol;tetrahydrate.
What is the SMILES notation for ethanol;tetrahydrate?
The canonical SMILES for ethanol;tetrahydrate is CCO.O.O.O.O.
What is the InChIKey of ethanol;tetrahydrate?
The InChIKey is QPNLLKBRNVXMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.4H2O/c1-2-3;;;;/h3H,2H2,1H3;4*1H2.
What are the key properties of ethanol;tetrahydrate?
ethanol;tetrahydrate has a molecular weight of 118.13 g/mol, XLogP of -3.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;tetrahydrate is sourced from PubChem (CID 57443785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).