triethyl(3-oxopropyl)phosphanium

C9H20OP+ — CID 89178953

IUPACtriethyl(3-oxopropyl)phosphanium
SMILESCC[P+](CC)(CC)CCC=O
InChIInChI=1S/C9H20OP/c1-4-11(5-2,6-3)9-7-8-10/h8H,4-7,9H2,1-3H3/q+1
InChIKeyQWYUUDDHSGZZJA-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.65
Rot. Bonds6

About triethyl(3-oxopropyl)phosphanium

triethyl(3-oxopropyl)phosphanium (PubChem CID 89178953) has the molecular formula C9H20OP+ and a molecular weight of 175.23 g/mol. Its IUPAC name is triethyl(3-oxopropyl)phosphanium.

Molecular Properties

Compound Nametriethyl(3-oxopropyl)phosphanium
PubChem CID89178953
Molecular FormulaC9H20OP+
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nametriethyl(3-oxopropyl)phosphanium
SMILESCC[P+](CC)(CC)CCC=O
InChIInChI=1S/C9H20OP/c1-4-11(5-2,6-3)9-7-8-10/h8H,4-7,9H2,1-3H3/q+1
InChIKeyQWYUUDDHSGZZJA-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tributyl-1-formylpropylidene-phosphorane
CID 15633968
Tris-(2-formylethyl)phosphorus hydrochloride
CID 141170320
Tris-(2-formylethyl)phosphine
CID 141170321
Tripropyl-1-formylethylidenephosphorane
CID 15399742
2-(Tributyl-lambda5-phosphanylidene)propanal
CID 15633969
2-(Tributyl-lambda5-phosphanylidene)acetaldehyde
CID 135082709
Tributyl(2-oxoethyl)phosphanium
CID 85925022
2-(Tetrabutyl-lambda5-phosphanyl)acetaldehyde
CID 87449032
4-(Tetrabutyl-lambda5-phosphanyl)butanal
CID 88466876
2-(Tetraethyl-lambda5-phosphanyl)acetaldehyde
CID 88738001
Triethyl(4-oxobutyl)phosphanium
CID 89178904
Tributyl(4-oxobutyl)phosphanium
CID 89178922

Frequently Asked Questions

What is the IUPAC name of triethyl(3-oxopropyl)phosphanium?
The IUPAC name of triethyl(3-oxopropyl)phosphanium (CID 89178953) is triethyl(3-oxopropyl)phosphanium.
What is the SMILES notation for triethyl(3-oxopropyl)phosphanium?
The canonical SMILES for triethyl(3-oxopropyl)phosphanium is CC[P+](CC)(CC)CCC=O.
What is the InChIKey of triethyl(3-oxopropyl)phosphanium?
The InChIKey is QWYUUDDHSGZZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OP/c1-4-11(5-2,6-3)9-7-8-10/h8H,4-7,9H2,1-3H3/q+1.
What are the key properties of triethyl(3-oxopropyl)phosphanium?
triethyl(3-oxopropyl)phosphanium has a molecular weight of 175.23 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(3-oxopropyl)phosphanium is sourced from PubChem (CID 89178953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).