tert-butyl-bis(diethoxyphosphoryl)phosphane

C12H29O6P3 — CID 12543031

IUPACtert-butyl-bis(diethoxyphosphoryl)phosphane
SMILESCCOP(=O)(OCC)P(C(C)(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C12H29O6P3/c1-8-15-20(13,16-9-2)19(12(5,6)7)21(14,17-10-3)18-11-4/h8-11H2,1-7H3
InChIKeyQPGGRSVGEFXCAK-UHFFFAOYSA-N
MW362.28 g/mol
LogP5.63
Rot. Bonds10

About tert-butyl-bis(diethoxyphosphoryl)phosphane

tert-butyl-bis(diethoxyphosphoryl)phosphane (PubChem CID 12543031) has the molecular formula C12H29O6P3 and a molecular weight of 362.28 g/mol. Its IUPAC name is tert-butyl-bis(diethoxyphosphoryl)phosphane.

Molecular Properties

Compound Nametert-butyl-bis(diethoxyphosphoryl)phosphane
PubChem CID12543031
Molecular FormulaC12H29O6P3
Molecular Weight362.28 g/mol
Exact Mass362.12
IUPAC Nametert-butyl-bis(diethoxyphosphoryl)phosphane
SMILESCCOP(=O)(OCC)P(C(C)(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C12H29O6P3/c1-8-15-20(13,16-9-2)19(12(5,6)7)21(14,17-10-3)18-11-4/h8-11H2,1-7H3
InChIKeyQPGGRSVGEFXCAK-UHFFFAOYSA-N
XLogP5.63
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.28
LogP ≤ 55.63
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

1-[ethoxy((114C)methyl)(14C)phosphoryl]oxyethane
CID 11062590
(3-diethoxyphosphoryloxy-2,2-dimethylpropyl) diethyl phosphate
CID 518173
2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]propane
CID 21197647
2-diethoxyphosphoryl-2-methylpropan-1-amine
CID 58928684
CID 131882906
CID 131882906
tetrasodium ethyl phosphate
CID 141178132
disodium;ethyl phosphate
CID 11970393
diaminophosphoryloxyethane
CID 12620494
1,1-diethoxyethyl(ethoxy)phosphinic acid
CID 150387387
3-diethoxyphosphoryl-3-methylbutan-2-one
CID 14267358
1-[fluoro(trifluoromethyl)phosphoryl]oxyethane
CID 172746809
diethoxyphosphoryl 2,2-dimethylpropanoate
CID 131858368

Frequently Asked Questions

What is the IUPAC name of tert-butyl-bis(diethoxyphosphoryl)phosphane?
The IUPAC name of tert-butyl-bis(diethoxyphosphoryl)phosphane (CID 12543031) is tert-butyl-bis(diethoxyphosphoryl)phosphane.
What is the SMILES notation for tert-butyl-bis(diethoxyphosphoryl)phosphane?
The canonical SMILES for tert-butyl-bis(diethoxyphosphoryl)phosphane is CCOP(=O)(OCC)P(C(C)(C)C)P(=O)(OCC)OCC.
What is the InChIKey of tert-butyl-bis(diethoxyphosphoryl)phosphane?
The InChIKey is QPGGRSVGEFXCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29O6P3/c1-8-15-20(13,16-9-2)19(12(5,6)7)21(14,17-10-3)18-11-4/h8-11H2,1-7H3.
What are the key properties of tert-butyl-bis(diethoxyphosphoryl)phosphane?
tert-butyl-bis(diethoxyphosphoryl)phosphane has a molecular weight of 362.28 g/mol, XLogP of 5.63, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-bis(diethoxyphosphoryl)phosphane is sourced from PubChem (CID 12543031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).