3,3-bis(diethoxyphosphoryl)propanoic acid

C11H24O8P2 — CID 19689030

IUPAC3,3-bis(diethoxyphosphoryl)propanoic acid
SMILESCCOP(=O)(OCC)C(CC(=O)O)P(=O)(OCC)OCC
InChIInChI=1S/C11H24O8P2/c1-5-16-20(14,17-6-2)11(9-10(12)13)21(15,18-7-3)19-8-4/h11H,5-9H2,1-4H3,(H,12,13)
InChIKeyGDQZCDGSLKIQJU-UHFFFAOYSA-N
MW346.25 g/mol
LogP3.32
Rot. Bonds12

About 3,3-bis(diethoxyphosphoryl)propanoic acid

3,3-bis(diethoxyphosphoryl)propanoic acid (PubChem CID 19689030) has the molecular formula C11H24O8P2 and a molecular weight of 346.25 g/mol. Its IUPAC name is 3,3-bis(diethoxyphosphoryl)propanoic acid.

Molecular Properties

Compound Name3,3-bis(diethoxyphosphoryl)propanoic acid
PubChem CID19689030
Molecular FormulaC11H24O8P2
Molecular Weight346.25 g/mol
Exact Mass346.09
IUPAC Name3,3-bis(diethoxyphosphoryl)propanoic acid
SMILESCCOP(=O)(OCC)C(CC(=O)O)P(=O)(OCC)OCC
InChIInChI=1S/C11H24O8P2/c1-5-16-20(14,17-6-2)11(9-10(12)13)21(15,18-7-3)19-8-4/h11H,5-9H2,1-4H3,(H,12,13)
InChIKeyGDQZCDGSLKIQJU-UHFFFAOYSA-N
XLogP3.32
TPSA108.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(diethoxyphosphoryl)propanoic acid?
The IUPAC name of 3,3-bis(diethoxyphosphoryl)propanoic acid (CID 19689030) is 3,3-bis(diethoxyphosphoryl)propanoic acid.
What is the SMILES notation for 3,3-bis(diethoxyphosphoryl)propanoic acid?
The canonical SMILES for 3,3-bis(diethoxyphosphoryl)propanoic acid is CCOP(=O)(OCC)C(CC(=O)O)P(=O)(OCC)OCC.
What is the InChIKey of 3,3-bis(diethoxyphosphoryl)propanoic acid?
The InChIKey is GDQZCDGSLKIQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O8P2/c1-5-16-20(14,17-6-2)11(9-10(12)13)21(15,18-7-3)19-8-4/h11H,5-9H2,1-4H3,(H,12,13).
What are the key properties of 3,3-bis(diethoxyphosphoryl)propanoic acid?
3,3-bis(diethoxyphosphoryl)propanoic acid has a molecular weight of 346.25 g/mol, XLogP of 3.32, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(diethoxyphosphoryl)propanoic acid is sourced from PubChem (CID 19689030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).