1,1-bis(diethoxyphosphoryl)propane

C11H26O6P2 — CID 11012530

IUPAC1,1-bis(diethoxyphosphoryl)propane
SMILESCCOP(=O)(OCC)C(CC)P(=O)(OCC)OCC
InChIInChI=1S/C11H26O6P2/c1-6-11(18(12,14-7-2)15-8-3)19(13,16-9-4)17-10-5/h11H,6-10H2,1-5H3
InChIKeyRBRDWBFEYYXRNJ-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.25
Rot. Bonds11

About 1,1-bis(diethoxyphosphoryl)propane

1,1-bis(diethoxyphosphoryl)propane (PubChem CID 11012530) has the molecular formula C11H26O6P2 and a molecular weight of 316.27 g/mol. Its IUPAC name is 1,1-bis(diethoxyphosphoryl)propane.

Molecular Properties

Compound Name1,1-bis(diethoxyphosphoryl)propane
PubChem CID11012530
Molecular FormulaC11H26O6P2
Molecular Weight316.27 g/mol
Exact Mass316.12
IUPAC Name1,1-bis(diethoxyphosphoryl)propane
SMILESCCOP(=O)(OCC)C(CC)P(=O)(OCC)OCC
InChIInChI=1S/C11H26O6P2/c1-6-11(18(12,14-7-2)15-8-3)19(13,16-9-4)17-10-5/h11H,6-10H2,1-5H3
InChIKeyRBRDWBFEYYXRNJ-UHFFFAOYSA-N
XLogP4.25
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Tetraethyl Pyrophosphate
CID 7873
Tributyl Phosphate
CID 31357
Dibutyl butylphosphonate
CID 6539
Tetraisopropyl methylenediphosphonate
CID 74266
Phosphonium, tributylethyl-, diethyl phosphate (1:1)
CID 60196373
Tetraethyl methylenediphosphonate
CID 15455
Tripropyl phosphate
CID 10546
Diethyl P-hexylphosphonate
CID 85311
Tetraethyl ethylenebisphosphonate
CID 70446
Tetraisopropyl 1,2-ethylenediphosphonate
CID 605693
Dibutyl propylphosphonate
CID 99440
Phosphoric acid, butyl diethyl ester
CID 75956

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(diethoxyphosphoryl)propane?
The IUPAC name of 1,1-bis(diethoxyphosphoryl)propane (CID 11012530) is 1,1-bis(diethoxyphosphoryl)propane.
What is the SMILES notation for 1,1-bis(diethoxyphosphoryl)propane?
The canonical SMILES for 1,1-bis(diethoxyphosphoryl)propane is CCOP(=O)(OCC)C(CC)P(=O)(OCC)OCC.
What is the InChIKey of 1,1-bis(diethoxyphosphoryl)propane?
The InChIKey is RBRDWBFEYYXRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O6P2/c1-6-11(18(12,14-7-2)15-8-3)19(13,16-9-4)17-10-5/h11H,6-10H2,1-5H3.
What are the key properties of 1,1-bis(diethoxyphosphoryl)propane?
1,1-bis(diethoxyphosphoryl)propane has a molecular weight of 316.27 g/mol, XLogP of 4.25, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(diethoxyphosphoryl)propane is sourced from PubChem (CID 11012530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).