1,1-bis(diethoxyphosphoryl)prop-1-ene

C11H24O6P2 — CID 10245096

IUPAC1,1-bis(diethoxyphosphoryl)prop-1-ene
SMILESCC=C(P(=O)(OCC)OCC)P(=O)(OCC)OCC
InChIInChI=1S/C11H24O6P2/c1-6-11(18(12,14-7-2)15-8-3)19(13,16-9-4)17-10-5/h6H,7-10H2,1-5H3
InChIKeyHLLUPDIJPXBABT-UHFFFAOYSA-N
MW314.25 g/mol
LogP4.38
Rot. Bonds10

About 1,1-bis(diethoxyphosphoryl)prop-1-ene

1,1-bis(diethoxyphosphoryl)prop-1-ene (PubChem CID 10245096) has the molecular formula C11H24O6P2 and a molecular weight of 314.25 g/mol. Its IUPAC name is 1,1-bis(diethoxyphosphoryl)prop-1-ene.

Molecular Properties

Compound Name1,1-bis(diethoxyphosphoryl)prop-1-ene
PubChem CID10245096
Molecular FormulaC11H24O6P2
Molecular Weight314.25 g/mol
Exact Mass314.10
IUPAC Name1,1-bis(diethoxyphosphoryl)prop-1-ene
SMILESCC=C(P(=O)(OCC)OCC)P(=O)(OCC)OCC
InChIInChI=1S/C11H24O6P2/c1-6-11(18(12,14-7-2)15-8-3)19(13,16-9-4)17-10-5/h6H,7-10H2,1-5H3
InChIKeyHLLUPDIJPXBABT-UHFFFAOYSA-N
XLogP4.38
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(diethoxyphosphoryl)prop-1-ene?
The IUPAC name of 1,1-bis(diethoxyphosphoryl)prop-1-ene (CID 10245096) is 1,1-bis(diethoxyphosphoryl)prop-1-ene.
What is the SMILES notation for 1,1-bis(diethoxyphosphoryl)prop-1-ene?
The canonical SMILES for 1,1-bis(diethoxyphosphoryl)prop-1-ene is CC=C(P(=O)(OCC)OCC)P(=O)(OCC)OCC.
What is the InChIKey of 1,1-bis(diethoxyphosphoryl)prop-1-ene?
The InChIKey is HLLUPDIJPXBABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O6P2/c1-6-11(18(12,14-7-2)15-8-3)19(13,16-9-4)17-10-5/h6H,7-10H2,1-5H3.
What are the key properties of 1,1-bis(diethoxyphosphoryl)prop-1-ene?
1,1-bis(diethoxyphosphoryl)prop-1-ene has a molecular weight of 314.25 g/mol, XLogP of 4.38, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(diethoxyphosphoryl)prop-1-ene is sourced from PubChem (CID 10245096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).