diethoxy(prop-1-ynyl)phosphane

C7H13O2P — CID 14111837

IUPACdiethoxy(prop-1-ynyl)phosphane
SMILESCC#CP(OCC)OCC
InChIInChI=1S/C7H13O2P/c1-4-7-10(8-5-2)9-6-3/h5-6H2,1-3H3
InChIKeyGYEYCLPAADOWGK-UHFFFAOYSA-N
MW160.15 g/mol
LogP2.35
Rot. Bonds4

About diethoxy(prop-1-ynyl)phosphane

diethoxy(prop-1-ynyl)phosphane (PubChem CID 14111837) has the molecular formula C7H13O2P and a molecular weight of 160.15 g/mol. Its IUPAC name is diethoxy(prop-1-ynyl)phosphane.

Molecular Properties

Compound Namediethoxy(prop-1-ynyl)phosphane
PubChem CID14111837
Molecular FormulaC7H13O2P
Molecular Weight160.15 g/mol
Exact Mass160.07
IUPAC Namediethoxy(prop-1-ynyl)phosphane
SMILESCC#CP(OCC)OCC
InChIInChI=1S/C7H13O2P/c1-4-7-10(8-5-2)9-6-3/h5-6H2,1-3H3
InChIKeyGYEYCLPAADOWGK-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 52.35
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(prop-1-ynyl)phosphane?
The IUPAC name of diethoxy(prop-1-ynyl)phosphane (CID 14111837) is diethoxy(prop-1-ynyl)phosphane.
What is the SMILES notation for diethoxy(prop-1-ynyl)phosphane?
The canonical SMILES for diethoxy(prop-1-ynyl)phosphane is CC#CP(OCC)OCC.
What is the InChIKey of diethoxy(prop-1-ynyl)phosphane?
The InChIKey is GYEYCLPAADOWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O2P/c1-4-7-10(8-5-2)9-6-3/h5-6H2,1-3H3.
What are the key properties of diethoxy(prop-1-ynyl)phosphane?
diethoxy(prop-1-ynyl)phosphane has a molecular weight of 160.15 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(prop-1-ynyl)phosphane is sourced from PubChem (CID 14111837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).