diethylphosphorylmethyl(ethoxy)phosphane

C7H18O2P2 — CID 141170719

IUPACdiethylphosphorylmethyl(ethoxy)phosphane
SMILESCCOPCP(=O)(CC)CC
InChIInChI=1S/C7H18O2P2/c1-4-9-10-7-11(8,5-2)6-3/h10H,4-7H2,1-3H3
InChIKeyPWMOLJRLJAVJDE-UHFFFAOYSA-N
MW196.17 g/mol
LogP2.98
Rot. Bonds6

About diethylphosphorylmethyl(ethoxy)phosphane

diethylphosphorylmethyl(ethoxy)phosphane (PubChem CID 141170719) has the molecular formula C7H18O2P2 and a molecular weight of 196.17 g/mol. Its IUPAC name is diethylphosphorylmethyl(ethoxy)phosphane.

Molecular Properties

Compound Namediethylphosphorylmethyl(ethoxy)phosphane
PubChem CID141170719
Molecular FormulaC7H18O2P2
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Namediethylphosphorylmethyl(ethoxy)phosphane
SMILESCCOPCP(=O)(CC)CC
InChIInChI=1S/C7H18O2P2/c1-4-9-10-7-11(8,5-2)6-3/h10H,4-7H2,1-3H3
InChIKeyPWMOLJRLJAVJDE-UHFFFAOYSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(diethylphosphoryl)ethane
CID 22892167
ethyl 2-diethylphosphorylacetate
CID 564639
2-diethylphosphorylethyl-diethoxy-ethylsilane
CID 13356474
2-diethylphosphorylethoxy-diethoxy-ethylsilane
CID 154585184
1-[ethoxy(ethyl)phosphoryl]oxyethane
CID 23416652
aluminum;triethyl phosphate;phosphate
CID 174993171
3-diethylphosphorylprop-1-ene
CID 13431646
1,3-bis(diethylphosphoryloxy)propane
CID 23081880
2-diethylphosphoryl-1,1,1-trifluoroethane
CID 87128168
2-[ethyl(2,2,2-trifluoroethyl)phosphoryl]-1,1,1-trifluoroethane
CID 118247609
ethyl (E)-4-diethylphosphorylbut-2-enoate
CID 141024380
1-dimethylphosphorylethane;1-dimethylphosphoryloxyethane;methane
CID 160513005

Frequently Asked Questions

What is the IUPAC name of diethylphosphorylmethyl(ethoxy)phosphane?
The IUPAC name of diethylphosphorylmethyl(ethoxy)phosphane (CID 141170719) is diethylphosphorylmethyl(ethoxy)phosphane.
What is the SMILES notation for diethylphosphorylmethyl(ethoxy)phosphane?
The canonical SMILES for diethylphosphorylmethyl(ethoxy)phosphane is CCOPCP(=O)(CC)CC.
What is the InChIKey of diethylphosphorylmethyl(ethoxy)phosphane?
The InChIKey is PWMOLJRLJAVJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18O2P2/c1-4-9-10-7-11(8,5-2)6-3/h10H,4-7H2,1-3H3.
What are the key properties of diethylphosphorylmethyl(ethoxy)phosphane?
diethylphosphorylmethyl(ethoxy)phosphane has a molecular weight of 196.17 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethylphosphorylmethyl(ethoxy)phosphane is sourced from PubChem (CID 141170719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).