1,2-bis(diethoxyphosphoryl)benzene

C14H24O6P2 — CID 12651417

IUPAC1,2-bis(diethoxyphosphoryl)benzene
SMILESCCOP(=O)(OCC)c1ccccc1P(=O)(OCC)OCC
InChIInChI=1S/C14H24O6P2/c1-5-17-21(15,18-6-2)13-11-9-10-12-14(13)22(16,19-7-3)20-8-4/h9-12H,5-8H2,1-4H3
InChIKeyFVIVDHWMVOVHOO-UHFFFAOYSA-N
MW350.29 g/mol
LogP3.47
Rot. Bonds10

About 1,2-bis(diethoxyphosphoryl)benzene

1,2-bis(diethoxyphosphoryl)benzene (PubChem CID 12651417) has the molecular formula C14H24O6P2 and a molecular weight of 350.29 g/mol. Its IUPAC name is 1,2-bis(diethoxyphosphoryl)benzene.

Molecular Properties

Compound Name1,2-bis(diethoxyphosphoryl)benzene
PubChem CID12651417
Molecular FormulaC14H24O6P2
Molecular Weight350.29 g/mol
Exact Mass350.10
IUPAC Name1,2-bis(diethoxyphosphoryl)benzene
SMILESCCOP(=O)(OCC)c1ccccc1P(=O)(OCC)OCC
InChIInChI=1S/C14H24O6P2/c1-5-17-21(15,18-6-2)13-11-9-10-12-14(13)22(16,19-7-3)20-8-4/h9-12H,5-8H2,1-4H3
InChIKeyFVIVDHWMVOVHOO-UHFFFAOYSA-N
XLogP3.47
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 53.47
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 1,2-bis(diethoxyphosphoryl)benzene?
The IUPAC name of 1,2-bis(diethoxyphosphoryl)benzene (CID 12651417) is 1,2-bis(diethoxyphosphoryl)benzene.
What is the SMILES notation for 1,2-bis(diethoxyphosphoryl)benzene?
The canonical SMILES for 1,2-bis(diethoxyphosphoryl)benzene is CCOP(=O)(OCC)c1ccccc1P(=O)(OCC)OCC.
What is the InChIKey of 1,2-bis(diethoxyphosphoryl)benzene?
The InChIKey is FVIVDHWMVOVHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6P2/c1-5-17-21(15,18-6-2)13-11-9-10-12-14(13)22(16,19-7-3)20-8-4/h9-12H,5-8H2,1-4H3.
What are the key properties of 1,2-bis(diethoxyphosphoryl)benzene?
1,2-bis(diethoxyphosphoryl)benzene has a molecular weight of 350.29 g/mol, XLogP of 3.47, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(diethoxyphosphoryl)benzene is sourced from PubChem (CID 12651417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).