tetrakis(hept-3-enyl)phosphanium

C28H52P+ — CID 154264399

IUPACtetrakis(hept-3-enyl)phosphanium
SMILESCCCC=CCC[P+](CCC=CCCC)(CCC=CCCC)CCC=CCCC
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/h13-20H,5-12,21-28H2,1-4H3/q+1
InChIKeyWWCPRHXHHUBEOA-UHFFFAOYSA-N
MW419.70 g/mol
LogP9.99
Rot. Bonds20

About tetrakis(hept-3-enyl)phosphanium

tetrakis(hept-3-enyl)phosphanium (PubChem CID 154264399) has the molecular formula C28H52P+ and a molecular weight of 419.70 g/mol. Its IUPAC name is tetrakis(hept-3-enyl)phosphanium.

Molecular Properties

Compound Nametetrakis(hept-3-enyl)phosphanium
PubChem CID154264399
Molecular FormulaC28H52P+
Molecular Weight419.70 g/mol
Exact Mass419.38
IUPAC Nametetrakis(hept-3-enyl)phosphanium
SMILESCCCC=CCC[P+](CCC=CCCC)(CCC=CCCC)CCC=CCCC
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/h13-20H,5-12,21-28H2,1-4H3/q+1
InChIKeyWWCPRHXHHUBEOA-UHFFFAOYSA-N
XLogP9.99
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 ≤ 59.99
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

tetrakis(oct-3-enyl)phosphanium
CID 154360446
(4Z,8E)-dodeca-4,8-diene
CID 12576906
(4E,8E)-dodeca-4,8-diene
CID 12576905
ethane;(E)-oct-4-ene
CID 142055407
[(Z)-1-phenyloct-4-enyl]benzene
CID 143321928
tetrakis(pent-3-enyl)phosphanium
CID 154314281
(4Z,7Z,10Z,13Z)-heptadeca-4,7,10,13-tetraene
CID 10473036
deca-1,6-dien-3-ol
CID 56622854
8,9-dimethyltetradec-4-ene
CID 123353061
(E)-1-aminonon-5-en-2-ol
CID 101275257
tricosa-4,19-diene
CID 142680711
hexadeca-4,12-diene
CID 71384995

Frequently Asked Questions

What is the IUPAC name of tetrakis(hept-3-enyl)phosphanium?
The IUPAC name of tetrakis(hept-3-enyl)phosphanium (CID 154264399) is tetrakis(hept-3-enyl)phosphanium.
What is the SMILES notation for tetrakis(hept-3-enyl)phosphanium?
The canonical SMILES for tetrakis(hept-3-enyl)phosphanium is CCCC=CCC[P+](CCC=CCCC)(CCC=CCCC)CCC=CCCC.
What is the InChIKey of tetrakis(hept-3-enyl)phosphanium?
The InChIKey is WWCPRHXHHUBEOA-UHFFFAOYSA-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/h13-20H,5-12,21-28H2,1-4H3/q+1.
What are the key properties of tetrakis(hept-3-enyl)phosphanium?
tetrakis(hept-3-enyl)phosphanium has a molecular weight of 419.70 g/mol, XLogP of 9.99, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(hept-3-enyl)phosphanium is sourced from PubChem (CID 154264399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).