tributyl(3-oxobut-1-enyl)phosphanium

C16H32OP+ — CID 88771980

IUPACtributyl(3-oxobut-1-enyl)phosphanium
SMILESCCCC[P+](C=CC(C)=O)(CCCC)CCCC
InChIInChI=1S/C16H32OP/c1-5-8-12-18(13-9-6-2,14-10-7-3)15-11-16(4)17/h11,15H,5-10,12-14H2,1-4H3/q+1
InChIKeyOIRABYRCGZZHHO-UHFFFAOYSA-N
MW271.40 g/mol
LogP5.51
Rot. Bonds11

About tributyl(3-oxobut-1-enyl)phosphanium

tributyl(3-oxobut-1-enyl)phosphanium (PubChem CID 88771980) has the molecular formula C16H32OP+ and a molecular weight of 271.40 g/mol. Its IUPAC name is tributyl(3-oxobut-1-enyl)phosphanium.

Molecular Properties

Compound Nametributyl(3-oxobut-1-enyl)phosphanium
PubChem CID88771980
Molecular FormulaC16H32OP+
Molecular Weight271.40 g/mol
Exact Mass271.22
IUPAC Nametributyl(3-oxobut-1-enyl)phosphanium
SMILESCCCC[P+](C=CC(C)=O)(CCCC)CCCC
InChIInChI=1S/C16H32OP/c1-5-8-12-18(13-9-6-2,14-10-7-3)15-11-16(4)17/h11,15H,5-10,12-14H2,1-4H3/q+1
InChIKeyOIRABYRCGZZHHO-UHFFFAOYSA-N
XLogP5.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.40
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(E)-5-hydroxy-6-methyldec-3-en-2-one
CID 87292051
5-methoxy-6-methyldec-3-en-2-one
CID 91554031
(E)-5-methoxy-6-methyldec-3-en-2-one
CID 87291566
[(E)-2-oxoundec-3-en-5-yl] acetate
CID 15656036
hexane;hex-3-en-2-one
CID 159035878
5-hydroxyhept-3-en-2-one
CID 74046190
(E)-5-hydroxy-4-methylnon-3-en-2-one
CID 87291496
non-3-ene-2,5-dione
CID 71327386
methane;oct-3-en-2-one
CID 175702789
(E)-2-butyl-3-methyl-5-oxohex-3-enoic acid
CID 11715353
hept-3-en-2-one;oct-3-en-2-one
CID 159843047
2-acetylhexanal
CID 12612516

Frequently Asked Questions

What is the IUPAC name of tributyl(3-oxobut-1-enyl)phosphanium?
The IUPAC name of tributyl(3-oxobut-1-enyl)phosphanium (CID 88771980) is tributyl(3-oxobut-1-enyl)phosphanium.
What is the SMILES notation for tributyl(3-oxobut-1-enyl)phosphanium?
The canonical SMILES for tributyl(3-oxobut-1-enyl)phosphanium is CCCC[P+](C=CC(C)=O)(CCCC)CCCC.
What is the InChIKey of tributyl(3-oxobut-1-enyl)phosphanium?
The InChIKey is OIRABYRCGZZHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32OP/c1-5-8-12-18(13-9-6-2,14-10-7-3)15-11-16(4)17/h11,15H,5-10,12-14H2,1-4H3/q+1.
What are the key properties of tributyl(3-oxobut-1-enyl)phosphanium?
tributyl(3-oxobut-1-enyl)phosphanium has a molecular weight of 271.40 g/mol, XLogP of 5.51, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(3-oxobut-1-enyl)phosphanium is sourced from PubChem (CID 88771980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).