1-diethoxyphosphorylbutane

C8H19O3P — CID 2773687

IUPAC1-diethoxyphosphorylbutane
SMILESCCCCP(=O)(OCC)OCC
InChIInChI=1S/C8H19O3P/c1-4-7-8-12(9,10-5-2)11-6-3/h4-8H2,1-3H3
InChIKeyKEOJOAVYGLGAIM-UHFFFAOYSA-N
MW194.21 g/mol
LogP3.05
Rot. Bonds7

About 1-diethoxyphosphorylbutane

1-diethoxyphosphorylbutane (PubChem CID 2773687) has the molecular formula C8H19O3P and a molecular weight of 194.21 g/mol. Its IUPAC name is 1-diethoxyphosphorylbutane.

Molecular Properties

Compound Name1-diethoxyphosphorylbutane
PubChem CID2773687
Molecular FormulaC8H19O3P
Molecular Weight194.21 g/mol
Exact Mass194.11
IUPAC Name1-diethoxyphosphorylbutane
SMILESCCCCP(=O)(OCC)OCC
InChIInChI=1S/C8H19O3P/c1-4-7-8-12(9,10-5-2)11-6-3/h4-8H2,1-3H3
InChIKeyKEOJOAVYGLGAIM-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-diethoxyphosphorylbutane?
The IUPAC name of 1-diethoxyphosphorylbutane (CID 2773687) is 1-diethoxyphosphorylbutane.
What is the SMILES notation for 1-diethoxyphosphorylbutane?
The canonical SMILES for 1-diethoxyphosphorylbutane is CCCCP(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphorylbutane?
The InChIKey is KEOJOAVYGLGAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O3P/c1-4-7-8-12(9,10-5-2)11-6-3/h4-8H2,1-3H3.
What are the key properties of 1-diethoxyphosphorylbutane?
1-diethoxyphosphorylbutane has a molecular weight of 194.21 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphorylbutane is sourced from PubChem (CID 2773687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).