but-2-enyl(tributyl)phosphanium

C16H34P+ — CID 76527519

IUPACbut-2-enyl(tributyl)phosphanium
SMILESCC=CC[P+](CCCC)(CCCC)CCCC
InChIInChI=1S/C16H34P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5,9H,6-8,10-16H2,1-4H3/q+1
InChIKeyYCAJNTWSVQHUOU-UHFFFAOYSA-N
MW257.42 g/mol
LogP5.98
Rot. Bonds11

About but-2-enyl(tributyl)phosphanium

but-2-enyl(tributyl)phosphanium (PubChem CID 76527519) has the molecular formula C16H34P+ and a molecular weight of 257.42 g/mol. Its IUPAC name is but-2-enyl(tributyl)phosphanium.

Molecular Properties

Compound Namebut-2-enyl(tributyl)phosphanium
PubChem CID76527519
Molecular FormulaC16H34P+
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Namebut-2-enyl(tributyl)phosphanium
SMILESCC=CC[P+](CCCC)(CCCC)CCCC
InChIInChI=1S/C16H34P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5,9H,6-8,10-16H2,1-4H3/q+1
InChIKeyYCAJNTWSVQHUOU-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tributyl-[(2E,4E)-6-tributylphosphaniumylhexa-2,4-dienyl]phosphanium dibromide
CID 87718023
5-butylnon-2-ene
CID 175055679
2-butylhex-4-en-1-amine
CID 91034003
propane;(E)-5-[(Z)-prop-1-enyl]non-2-ene
CID 143978428
tetrabutylphosphanium;tin(4+)
CID 160650774
(E,5S,6R)-6-methyldec-8-en-5-ol
CID 88893107
tributyl(3-methylbut-2-enyl)phosphanium bromide
CID 25023490
tributyl-[(E)-5,5,7,7-tetramethyloct-2-enyl]phosphanium chloride
CID 21245666
stibane;tetrabutylphosphanium;hexahydrofluoride
CID 172998203
tetrabutylphosphanium;fluoride;dihydrofluoride
CID 11823303
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708
octa-2,6-diene;4-prop-1-enyloct-2-ene
CID 159592466

Frequently Asked Questions

What is the IUPAC name of but-2-enyl(tributyl)phosphanium?
The IUPAC name of but-2-enyl(tributyl)phosphanium (CID 76527519) is but-2-enyl(tributyl)phosphanium.
What is the SMILES notation for but-2-enyl(tributyl)phosphanium?
The canonical SMILES for but-2-enyl(tributyl)phosphanium is CC=CC[P+](CCCC)(CCCC)CCCC.
What is the InChIKey of but-2-enyl(tributyl)phosphanium?
The InChIKey is YCAJNTWSVQHUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5,9H,6-8,10-16H2,1-4H3/q+1.
What are the key properties of but-2-enyl(tributyl)phosphanium?
but-2-enyl(tributyl)phosphanium has a molecular weight of 257.42 g/mol, XLogP of 5.98, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enyl(tributyl)phosphanium is sourced from PubChem (CID 76527519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).