1-diethylphosphoryloxyethane

C6H15O2P — CID 20904

IUPAC1-diethylphosphoryloxyethane
SMILESCCOP(=O)(CC)CC
InChIInChI=1S/C6H15O2P/c1-4-8-9(7,5-2)6-3/h4-6H2,1-3H3
InChIKeyGQAXWUVTNDQEQR-UHFFFAOYSA-N
MW150.16 g/mol
LogP2.34
Rot. Bonds4

About 1-diethylphosphoryloxyethane

1-diethylphosphoryloxyethane (PubChem CID 20904) has the molecular formula C6H15O2P and a molecular weight of 150.16 g/mol. Its IUPAC name is 1-diethylphosphoryloxyethane.

Molecular Properties

Compound Name1-diethylphosphoryloxyethane
PubChem CID20904
Molecular FormulaC6H15O2P
Molecular Weight150.16 g/mol
Exact Mass150.08
IUPAC Name1-diethylphosphoryloxyethane
SMILESCCOP(=O)(CC)CC
InChIInChI=1S/C6H15O2P/c1-4-8-9(7,5-2)6-3/h4-6H2,1-3H3
InChIKeyGQAXWUVTNDQEQR-UHFFFAOYSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.16
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-diethylphosphoryloxyethane?
The IUPAC name of 1-diethylphosphoryloxyethane (CID 20904) is 1-diethylphosphoryloxyethane.
What is the SMILES notation for 1-diethylphosphoryloxyethane?
The canonical SMILES for 1-diethylphosphoryloxyethane is CCOP(=O)(CC)CC.
What is the InChIKey of 1-diethylphosphoryloxyethane?
The InChIKey is GQAXWUVTNDQEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O2P/c1-4-8-9(7,5-2)6-3/h4-6H2,1-3H3.
What are the key properties of 1-diethylphosphoryloxyethane?
1-diethylphosphoryloxyethane has a molecular weight of 150.16 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethylphosphoryloxyethane is sourced from PubChem (CID 20904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).