1-diethoxyphosphorylpropan-1-ol

C7H17O4P — CID 11019775

IUPAC1-diethoxyphosphorylpropan-1-ol
SMILESCCOP(=O)(OCC)C(O)CC
InChIInChI=1S/C7H17O4P/c1-4-7(8)12(9,10-5-2)11-6-3/h7-8H,4-6H2,1-3H3
InChIKeyAUVAYJFCWUIFDE-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.98
Rot. Bonds6

About 1-diethoxyphosphorylpropan-1-ol

1-diethoxyphosphorylpropan-1-ol (PubChem CID 11019775) has the molecular formula C7H17O4P and a molecular weight of 196.18 g/mol. Its IUPAC name is 1-diethoxyphosphorylpropan-1-ol.

Molecular Properties

Compound Name1-diethoxyphosphorylpropan-1-ol
PubChem CID11019775
Molecular FormulaC7H17O4P
Molecular Weight196.18 g/mol
Exact Mass196.09
IUPAC Name1-diethoxyphosphorylpropan-1-ol
SMILESCCOP(=O)(OCC)C(O)CC
InChIInChI=1S/C7H17O4P/c1-4-7(8)12(9,10-5-2)11-6-3/h7-8H,4-6H2,1-3H3
InChIKeyAUVAYJFCWUIFDE-UHFFFAOYSA-N
XLogP1.98
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-diethoxyphosphorylpropan-1-ol?
The IUPAC name of 1-diethoxyphosphorylpropan-1-ol (CID 11019775) is 1-diethoxyphosphorylpropan-1-ol.
What is the SMILES notation for 1-diethoxyphosphorylpropan-1-ol?
The canonical SMILES for 1-diethoxyphosphorylpropan-1-ol is CCOP(=O)(OCC)C(O)CC.
What is the InChIKey of 1-diethoxyphosphorylpropan-1-ol?
The InChIKey is AUVAYJFCWUIFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O4P/c1-4-7(8)12(9,10-5-2)11-6-3/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-diethoxyphosphorylpropan-1-ol?
1-diethoxyphosphorylpropan-1-ol has a molecular weight of 196.18 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphorylpropan-1-ol is sourced from PubChem (CID 11019775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).