ethanol;phosphane;hydrate

C2H11O2P — CID 175112469

IUPACethanol;phosphane;hydrate
SMILESCCO.O.P
InChIInChI=1S/C2H6O.H2O.H3P/c1-2-3;;/h3H,2H2,1H3;1H2;1H3
InChIKeyIMDOLUZQLGSNLH-UHFFFAOYSA-N
MW98.08 g/mol
LogP-0.77
Rot. Bonds

About ethanol;phosphane;hydrate

ethanol;phosphane;hydrate (PubChem CID 175112469) has the molecular formula C2H11O2P and a molecular weight of 98.08 g/mol. Its IUPAC name is ethanol;phosphane;hydrate.

Molecular Properties

Compound Nameethanol;phosphane;hydrate
PubChem CID175112469
Molecular FormulaC2H11O2P
Molecular Weight98.08 g/mol
Exact Mass98.05
IUPAC Nameethanol;phosphane;hydrate
SMILESCCO.O.P
InChIInChI=1S/C2H6O.H2O.H3P/c1-2-3;;/h3H,2H2,1H3;1H2;1H3
InChIKeyIMDOLUZQLGSNLH-UHFFFAOYSA-N
XLogP-0.77
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.08
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethanol;phosphane;hydrate?
The IUPAC name of ethanol;phosphane;hydrate (CID 175112469) is ethanol;phosphane;hydrate.
What is the SMILES notation for ethanol;phosphane;hydrate?
The canonical SMILES for ethanol;phosphane;hydrate is CCO.O.P.
What is the InChIKey of ethanol;phosphane;hydrate?
The InChIKey is IMDOLUZQLGSNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.H2O.H3P/c1-2-3;;/h3H,2H2,1H3;1H2;1H3.
What are the key properties of ethanol;phosphane;hydrate?
ethanol;phosphane;hydrate has a molecular weight of 98.08 g/mol, XLogP of -0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;phosphane;hydrate is sourced from PubChem (CID 175112469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).