2-diethoxyphosphorylpropane

C7H17O3P — CID 586633

IUPAC2-diethoxyphosphorylpropane
SMILESCCOP(=O)(OCC)C(C)C
InChIInChI=1S/C7H17O3P/c1-5-9-11(8,7(3)4)10-6-2/h7H,5-6H2,1-4H3
InChIKeyPPMDSXRMQXBCJW-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.66
Rot. Bonds5

About 2-diethoxyphosphorylpropane

2-diethoxyphosphorylpropane (PubChem CID 586633) has the molecular formula C7H17O3P and a molecular weight of 180.18 g/mol. Its IUPAC name is 2-diethoxyphosphorylpropane.

Molecular Properties

Compound Name2-diethoxyphosphorylpropane
PubChem CID586633
Molecular FormulaC7H17O3P
Molecular Weight180.18 g/mol
Exact Mass180.09
IUPAC Name2-diethoxyphosphorylpropane
SMILESCCOP(=O)(OCC)C(C)C
InChIInChI=1S/C7H17O3P/c1-5-9-11(8,7(3)4)10-6-2/h7H,5-6H2,1-4H3
InChIKeyPPMDSXRMQXBCJW-UHFFFAOYSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.66
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 2-diethoxyphosphorylpropane?
The IUPAC name of 2-diethoxyphosphorylpropane (CID 586633) is 2-diethoxyphosphorylpropane.
What is the SMILES notation for 2-diethoxyphosphorylpropane?
The canonical SMILES for 2-diethoxyphosphorylpropane is CCOP(=O)(OCC)C(C)C.
What is the InChIKey of 2-diethoxyphosphorylpropane?
The InChIKey is PPMDSXRMQXBCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O3P/c1-5-9-11(8,7(3)4)10-6-2/h7H,5-6H2,1-4H3.
What are the key properties of 2-diethoxyphosphorylpropane?
2-diethoxyphosphorylpropane has a molecular weight of 180.18 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylpropane is sourced from PubChem (CID 586633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).