hex-1-en-2-yl(triphenyl)phosphanium

C24H26P+ — CID 10939905

IUPAChex-1-en-2-yl(triphenyl)phosphanium
SMILESC=C(CCCC)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26P/c1-3-4-14-21(2)25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h5-13,15-20H,2-4,14H2,1H3/q+1
InChIKeyLVRRTDRZCPKWOR-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.68
Rot. Bonds7

About hex-1-en-2-yl(triphenyl)phosphanium

hex-1-en-2-yl(triphenyl)phosphanium (PubChem CID 10939905) has the molecular formula C24H26P+ and a molecular weight of 345.45 g/mol. Its IUPAC name is hex-1-en-2-yl(triphenyl)phosphanium.

Molecular Properties

Compound Namehex-1-en-2-yl(triphenyl)phosphanium
PubChem CID10939905
Molecular FormulaC24H26P+
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Namehex-1-en-2-yl(triphenyl)phosphanium
SMILESC=C(CCCC)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26P/c1-3-4-14-21(2)25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h5-13,15-20H,2-4,14H2,1H3/q+1
InChIKeyLVRRTDRZCPKWOR-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hex-1-en-2-yl(triphenyl)phosphanium?
The IUPAC name of hex-1-en-2-yl(triphenyl)phosphanium (CID 10939905) is hex-1-en-2-yl(triphenyl)phosphanium.
What is the SMILES notation for hex-1-en-2-yl(triphenyl)phosphanium?
The canonical SMILES for hex-1-en-2-yl(triphenyl)phosphanium is C=C(CCCC)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of hex-1-en-2-yl(triphenyl)phosphanium?
The InChIKey is LVRRTDRZCPKWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26P/c1-3-4-14-21(2)25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h5-13,15-20H,2-4,14H2,1H3/q+1.
What are the key properties of hex-1-en-2-yl(triphenyl)phosphanium?
hex-1-en-2-yl(triphenyl)phosphanium has a molecular weight of 345.45 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-en-2-yl(triphenyl)phosphanium is sourced from PubChem (CID 10939905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).