3,3-bis(dimethoxyphosphoryl)propanal

C7H16O7P2 — CID 19418486

IUPAC3,3-bis(dimethoxyphosphoryl)propanal
SMILESCOP(=O)(OC)C(CC=O)P(=O)(OC)OC
InChIInChI=1S/C7H16O7P2/c1-11-15(9,12-2)7(5-6-8)16(10,13-3)14-4/h6-7H,5H2,1-4H3
InChIKeyKUJKUEUWQPJWQB-UHFFFAOYSA-N
MW274.15 g/mol
LogP1.87
Rot. Bonds8

About 3,3-bis(dimethoxyphosphoryl)propanal

3,3-bis(dimethoxyphosphoryl)propanal (PubChem CID 19418486) has the molecular formula C7H16O7P2 and a molecular weight of 274.15 g/mol. Its IUPAC name is 3,3-bis(dimethoxyphosphoryl)propanal.

Molecular Properties

Compound Name3,3-bis(dimethoxyphosphoryl)propanal
PubChem CID19418486
Molecular FormulaC7H16O7P2
Molecular Weight274.15 g/mol
Exact Mass274.04
IUPAC Name3,3-bis(dimethoxyphosphoryl)propanal
SMILESCOP(=O)(OC)C(CC=O)P(=O)(OC)OC
InChIInChI=1S/C7H16O7P2/c1-11-15(9,12-2)7(5-6-8)16(10,13-3)14-4/h6-7H,5H2,1-4H3
InChIKeyKUJKUEUWQPJWQB-UHFFFAOYSA-N
XLogP1.87
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(dimethoxyphosphoryl)propanal?
The IUPAC name of 3,3-bis(dimethoxyphosphoryl)propanal (CID 19418486) is 3,3-bis(dimethoxyphosphoryl)propanal.
What is the SMILES notation for 3,3-bis(dimethoxyphosphoryl)propanal?
The canonical SMILES for 3,3-bis(dimethoxyphosphoryl)propanal is COP(=O)(OC)C(CC=O)P(=O)(OC)OC.
What is the InChIKey of 3,3-bis(dimethoxyphosphoryl)propanal?
The InChIKey is KUJKUEUWQPJWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O7P2/c1-11-15(9,12-2)7(5-6-8)16(10,13-3)14-4/h6-7H,5H2,1-4H3.
What are the key properties of 3,3-bis(dimethoxyphosphoryl)propanal?
3,3-bis(dimethoxyphosphoryl)propanal has a molecular weight of 274.15 g/mol, XLogP of 1.87, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(dimethoxyphosphoryl)propanal is sourced from PubChem (CID 19418486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).