diethoxy(ethynyl)phosphane

C6H11O2P — CID 13198186

IUPACdiethoxy(ethynyl)phosphane
SMILESC#CP(OCC)OCC
InChIInChI=1S/C6H11O2P/c1-4-7-9(6-3)8-5-2/h3H,4-5H2,1-2H3
InChIKeyZCAVIYZBIRTMHZ-UHFFFAOYSA-N
MW146.13 g/mol
LogP1.96
Rot. Bonds4

About diethoxy(ethynyl)phosphane

diethoxy(ethynyl)phosphane (PubChem CID 13198186) has the molecular formula C6H11O2P and a molecular weight of 146.13 g/mol. Its IUPAC name is diethoxy(ethynyl)phosphane.

Molecular Properties

Compound Namediethoxy(ethynyl)phosphane
PubChem CID13198186
Molecular FormulaC6H11O2P
Molecular Weight146.13 g/mol
Exact Mass146.05
IUPAC Namediethoxy(ethynyl)phosphane
SMILESC#CP(OCC)OCC
InChIInChI=1S/C6H11O2P/c1-4-7-9(6-3)8-5-2/h3H,4-5H2,1-2H3
InChIKeyZCAVIYZBIRTMHZ-UHFFFAOYSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.13
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxy(ethynyl)phosphane?
The IUPAC name of diethoxy(ethynyl)phosphane (CID 13198186) is diethoxy(ethynyl)phosphane.
What is the SMILES notation for diethoxy(ethynyl)phosphane?
The canonical SMILES for diethoxy(ethynyl)phosphane is C#CP(OCC)OCC.
What is the InChIKey of diethoxy(ethynyl)phosphane?
The InChIKey is ZCAVIYZBIRTMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O2P/c1-4-7-9(6-3)8-5-2/h3H,4-5H2,1-2H3.
What are the key properties of diethoxy(ethynyl)phosphane?
diethoxy(ethynyl)phosphane has a molecular weight of 146.13 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(ethynyl)phosphane is sourced from PubChem (CID 13198186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).