triethyl(prop-2-ynoxy)phosphanium

C9H18OP+ — CID 170690604

IUPACtriethyl(prop-2-ynoxy)phosphanium
SMILESC#CCO[P+](CC)(CC)CC
InChIInChI=1S/C9H18OP/c1-5-9-10-11(6-2,7-3)8-4/h1H,6-9H2,2-4H3/q+1
InChIKeyXEYBREXKORMWKI-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.63
Rot. Bonds5

About triethyl(prop-2-ynoxy)phosphanium

triethyl(prop-2-ynoxy)phosphanium (PubChem CID 170690604) has the molecular formula C9H18OP+ and a molecular weight of 173.22 g/mol. Its IUPAC name is triethyl(prop-2-ynoxy)phosphanium.

Molecular Properties

Compound Nametriethyl(prop-2-ynoxy)phosphanium
PubChem CID170690604
Molecular FormulaC9H18OP+
Molecular Weight173.22 g/mol
Exact Mass173.11
IUPAC Nametriethyl(prop-2-ynoxy)phosphanium
SMILESC#CCO[P+](CC)(CC)CC
InChIInChI=1S/C9H18OP/c1-5-9-10-11(6-2,7-3)8-4/h1H,6-9H2,2-4H3/q+1
InChIKeyXEYBREXKORMWKI-UHFFFAOYSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 triethyl(prop-2-ynoxy)phosphanium?
The IUPAC name of triethyl(prop-2-ynoxy)phosphanium (CID 170690604) is triethyl(prop-2-ynoxy)phosphanium.
What is the SMILES notation for triethyl(prop-2-ynoxy)phosphanium?
The canonical SMILES for triethyl(prop-2-ynoxy)phosphanium is C#CCO[P+](CC)(CC)CC.
What is the InChIKey of triethyl(prop-2-ynoxy)phosphanium?
The InChIKey is XEYBREXKORMWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OP/c1-5-9-10-11(6-2,7-3)8-4/h1H,6-9H2,2-4H3/q+1.
What are the key properties of triethyl(prop-2-ynoxy)phosphanium?
triethyl(prop-2-ynoxy)phosphanium has a molecular weight of 173.22 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(prop-2-ynoxy)phosphanium is sourced from PubChem (CID 170690604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).