triethyl(4-oxobutyl)phosphanium

C10H22OP+ — CID 89178904

IUPACtriethyl(4-oxobutyl)phosphanium
SMILESCC[P+](CC)(CC)CCCC=O
InChIInChI=1S/C10H22OP/c1-4-12(5-2,6-3)10-8-7-9-11/h9H,4-8,10H2,1-3H3/q+1
InChIKeyTULDQRCOAASWBH-UHFFFAOYSA-N
MW189.26 g/mol
LogP3.04
Rot. Bonds7

About triethyl(4-oxobutyl)phosphanium

triethyl(4-oxobutyl)phosphanium (PubChem CID 89178904) has the molecular formula C10H22OP+ and a molecular weight of 189.26 g/mol. Its IUPAC name is triethyl(4-oxobutyl)phosphanium.

Molecular Properties

Compound Nametriethyl(4-oxobutyl)phosphanium
PubChem CID89178904
Molecular FormulaC10H22OP+
Molecular Weight189.26 g/mol
Exact Mass189.14
IUPAC Nametriethyl(4-oxobutyl)phosphanium
SMILESCC[P+](CC)(CC)CCCC=O
InChIInChI=1S/C10H22OP/c1-4-12(5-2,6-3)10-8-7-9-11/h9H,4-8,10H2,1-3H3/q+1
InChIKeyTULDQRCOAASWBH-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl(4-oxobutyl)phosphanium?
The IUPAC name of triethyl(4-oxobutyl)phosphanium (CID 89178904) is triethyl(4-oxobutyl)phosphanium.
What is the SMILES notation for triethyl(4-oxobutyl)phosphanium?
The canonical SMILES for triethyl(4-oxobutyl)phosphanium is CC[P+](CC)(CC)CCCC=O.
What is the InChIKey of triethyl(4-oxobutyl)phosphanium?
The InChIKey is TULDQRCOAASWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OP/c1-4-12(5-2,6-3)10-8-7-9-11/h9H,4-8,10H2,1-3H3/q+1.
What are the key properties of triethyl(4-oxobutyl)phosphanium?
triethyl(4-oxobutyl)phosphanium has a molecular weight of 189.26 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(4-oxobutyl)phosphanium is sourced from PubChem (CID 89178904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).