tetrakis[(E)-hept-1-enyl]phosphanium

C28H52P+ — CID 118306753

IUPACtetrakis[(E)-hept-1-enyl]phosphanium
SMILESCCCCC/C=C/[P+](/C=C/CCCCC)(/C=C/CCCCC)/C=C/CCCCC
InChIInChI=1S/C28H52P/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4/h21-28H,5-20H2,1-4H3/q+1/b25-21+,26-22+,27-23+,28-24+
InChIKeyNGVDOFVHPNIYNQ-OBCUGYALSA-N
MW419.70 g/mol
LogP11.38
Rot. Bonds20

About tetrakis[(E)-hept-1-enyl]phosphanium

tetrakis[(E)-hept-1-enyl]phosphanium (PubChem CID 118306753) has the molecular formula C28H52P+ and a molecular weight of 419.70 g/mol. Its IUPAC name is tetrakis[(E)-hept-1-enyl]phosphanium.

Molecular Properties

Compound Nametetrakis[(E)-hept-1-enyl]phosphanium
PubChem CID118306753
Molecular FormulaC28H52P+
Molecular Weight419.70 g/mol
Exact Mass419.38
IUPAC Nametetrakis[(E)-hept-1-enyl]phosphanium
SMILESCCCCC/C=C/[P+](/C=C/CCCCC)(/C=C/CCCCC)/C=C/CCCCC
InChIInChI=1S/C28H52P/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4/h21-28H,5-20H2,1-4H3/q+1/b25-21+,26-22+,27-23+,28-24+
InChIKeyNGVDOFVHPNIYNQ-OBCUGYALSA-N
XLogP11.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.70
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tetrakis[(E)-hept-1-enyl]phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,10-dioctyloctadeca-7,11-diene
CID 173120989
(E)-3-methyldec-4-ene
CID 5364642
(E)-2-bromonon-3-ene
CID 88753535
(Z,2R)-non-3-en-2-ol
CID 11040800
(E)-nonacos-10-ene
CID 14367300
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(Z)-docos-9-ene
CID 11690102
(E)-hexadec-6-ene
CID 5352260
(E)-hexacos-10-ene
CID 22172169
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895

Frequently Asked Questions

What is the IUPAC name of tetrakis[(E)-hept-1-enyl]phosphanium?
The IUPAC name of tetrakis[(E)-hept-1-enyl]phosphanium (CID 118306753) is tetrakis[(E)-hept-1-enyl]phosphanium.
What is the SMILES notation for tetrakis[(E)-hept-1-enyl]phosphanium?
The canonical SMILES for tetrakis[(E)-hept-1-enyl]phosphanium is CCCCC/C=C/[P+](/C=C/CCCCC)(/C=C/CCCCC)/C=C/CCCCC.
What is the InChIKey of tetrakis[(E)-hept-1-enyl]phosphanium?
The InChIKey is NGVDOFVHPNIYNQ-OBCUGYALSA-N. The full InChI is InChI=1S/C28H52P/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4/h21-28H,5-20H2,1-4H3/q+1/b25-21+,26-22+,27-23+,28-24+.
What are the key properties of tetrakis[(E)-hept-1-enyl]phosphanium?
tetrakis[(E)-hept-1-enyl]phosphanium has a molecular weight of 419.70 g/mol, XLogP of 11.38, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis[(E)-hept-1-enyl]phosphanium is sourced from PubChem (CID 118306753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).