2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]propane

C10H24O5P2 — CID 21197647

IUPAC2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]propane
SMILESCCOP(C)(=O)C(C)(C)P(=O)(OCC)OCC
InChIInChI=1S/C10H24O5P2/c1-7-13-16(6,11)10(4,5)17(12,14-8-2)15-9-3/h7-9H2,1-6H3
InChIKeyVTNWLCMJCRXFLP-UHFFFAOYSA-N
MW286.24 g/mol
LogP3.93
Rot. Bonds8

About 2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]propane

2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]propane (PubChem CID 21197647) has the molecular formula C10H24O5P2 and a molecular weight of 286.24 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]propane.

Molecular Properties

Compound Name2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]propane
PubChem CID21197647
Molecular FormulaC10H24O5P2
Molecular Weight286.24 g/mol
Exact Mass286.11
IUPAC Name2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]propane
SMILESCCOP(C)(=O)C(C)(C)P(=O)(OCC)OCC
InChIInChI=1S/C10H24O5P2/c1-7-13-16(6,11)10(4,5)17(12,14-8-2)15-9-3/h7-9H2,1-6H3
InChIKeyVTNWLCMJCRXFLP-UHFFFAOYSA-N
XLogP3.93
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-diethoxyphosphoryl-2-methylpropan-1-amine
CID 58928684
3-diethoxyphosphoryl-3-methylbutan-2-one
CID 14267358
2-bromo-4-diethoxyphosphoryl-4,4-difluorobut-1-ene
CID 14268059
2-bromo-2-diethoxyphosphoryl-2-fluoroacetonitrile
CID 134872139
2-diethoxyphosphoryl-4-methylpentan-2-amine
CID 14742051
2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol
CID 12012614
3-chloro-2-diethoxyphosphorylbutan-2-ol
CID 12591813
1-diethoxyphosphoryl-1,1-difluorohexane
CID 10445215
1-bromo-2-diethoxyphosphoryl-1,1,2,2-tetrafluoroethane
CID 11130909
4-diethoxyphosphoryl-4,4-difluorobutan-1-amine;hydrochloride
CID 86678297
methyl 3,3-bis(diethoxyphosphoryl)butanoate
CID 10571418
N-(2-diethoxyphosphorylpropan-2-yl)butan-1-amine
CID 15266355

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]propane?
The IUPAC name of 2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]propane (CID 21197647) is 2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]propane.
What is the SMILES notation for 2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]propane?
The canonical SMILES for 2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]propane is CCOP(C)(=O)C(C)(C)P(=O)(OCC)OCC.
What is the InChIKey of 2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]propane?
The InChIKey is VTNWLCMJCRXFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24O5P2/c1-7-13-16(6,11)10(4,5)17(12,14-8-2)15-9-3/h7-9H2,1-6H3.
What are the key properties of 2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]propane?
2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]propane has a molecular weight of 286.24 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]propane is sourced from PubChem (CID 21197647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).