[(1-diethoxyphosphoryl-1-ethoxyethyl)-ethoxyphosphoryl]benzene

C16H28O6P2 — CID 86588252

IUPAC[(1-diethoxyphosphoryl-1-ethoxyethyl)-ethoxyphosphoryl]benzene
SMILESCCOC(C)(P(=O)(OCC)OCC)P(=O)(OCC)c1ccccc1
InChIInChI=1S/C16H28O6P2/c1-6-19-16(5,24(18,21-8-3)22-9-4)23(17,20-7-2)15-13-11-10-12-14-15/h10-14H,6-9H2,1-5H3
InChIKeyMAWKQVWKMAFEHG-UHFFFAOYSA-N
MW378.34 g/mol
LogP4.60
Rot. Bonds11

About [(1-diethoxyphosphoryl-1-ethoxyethyl)-ethoxyphosphoryl]benzene

[(1-diethoxyphosphoryl-1-ethoxyethyl)-ethoxyphosphoryl]benzene (PubChem CID 86588252) has the molecular formula C16H28O6P2 and a molecular weight of 378.34 g/mol. Its IUPAC name is [(1-diethoxyphosphoryl-1-ethoxyethyl)-ethoxyphosphoryl]benzene.

Molecular Properties

Compound Name[(1-diethoxyphosphoryl-1-ethoxyethyl)-ethoxyphosphoryl]benzene
PubChem CID86588252
Molecular FormulaC16H28O6P2
Molecular Weight378.34 g/mol
Exact Mass378.14
IUPAC Name[(1-diethoxyphosphoryl-1-ethoxyethyl)-ethoxyphosphoryl]benzene
SMILESCCOC(C)(P(=O)(OCC)OCC)P(=O)(OCC)c1ccccc1
InChIInChI=1S/C16H28O6P2/c1-6-19-16(5,24(18,21-8-3)22-9-4)23(17,20-7-2)15-13-11-10-12-14-15/h10-14H,6-9H2,1-5H3
InChIKeyMAWKQVWKMAFEHG-UHFFFAOYSA-N
XLogP4.60
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 54.60
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

diethoxyphosphanyl-[1-[ethoxy(phenyl)phosphoryl]-1-hydroxyethyl]-oxophosphanium
CID 58735339
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
[(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene
CID 98516755
(1S)-1-(4-chlorophenyl)-1-diethoxyphosphoryl-N-diphenylphosphorylethanamine
CID 135031831
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424
(2,2-dichloro-2-diethoxyphosphorylethyl)benzene
CID 11141450
1-[ethoxy(phenyl)phosphoryl]ethylbenzene
CID 11778094
1,1-bis(diethoxyphosphoryl)-2-phenylethanol
CID 10340585
2-diethoxyphosphoryl-2-methyl-1-phenylhexan-1-one
CID 42646894
(NE)-N-(1-diethoxyphosphoryl-1-ethoxy-1-phenylpropan-2-ylidene)hydroxylamine
CID 10065135
[(1S)-2,2-dichloro-2-diethoxyphosphoryl-1-diphenylphosphorylethyl] carbamate
CID 2317816
[(1R)-2,2-dichloro-2-diethoxyphosphoryl-1-diphenylphosphorylethyl] carbamate
CID 2317818

Frequently Asked Questions

What is the IUPAC name of [(1-diethoxyphosphoryl-1-ethoxyethyl)-ethoxyphosphoryl]benzene?
The IUPAC name of [(1-diethoxyphosphoryl-1-ethoxyethyl)-ethoxyphosphoryl]benzene (CID 86588252) is [(1-diethoxyphosphoryl-1-ethoxyethyl)-ethoxyphosphoryl]benzene.
What is the SMILES notation for [(1-diethoxyphosphoryl-1-ethoxyethyl)-ethoxyphosphoryl]benzene?
The canonical SMILES for [(1-diethoxyphosphoryl-1-ethoxyethyl)-ethoxyphosphoryl]benzene is CCOC(C)(P(=O)(OCC)OCC)P(=O)(OCC)c1ccccc1.
What is the InChIKey of [(1-diethoxyphosphoryl-1-ethoxyethyl)-ethoxyphosphoryl]benzene?
The InChIKey is MAWKQVWKMAFEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O6P2/c1-6-19-16(5,24(18,21-8-3)22-9-4)23(17,20-7-2)15-13-11-10-12-14-15/h10-14H,6-9H2,1-5H3.
What are the key properties of [(1-diethoxyphosphoryl-1-ethoxyethyl)-ethoxyphosphoryl]benzene?
[(1-diethoxyphosphoryl-1-ethoxyethyl)-ethoxyphosphoryl]benzene has a molecular weight of 378.34 g/mol, XLogP of 4.60, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-diethoxyphosphoryl-1-ethoxyethyl)-ethoxyphosphoryl]benzene is sourced from PubChem (CID 86588252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).