10-bromodec-2-enyl(triphenyl)phosphanium

C28H33BrP+ — CID 174231321

IUPAC10-bromodec-2-enyl(triphenyl)phosphanium
SMILESBrCCCCCCCC=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33BrP/c29-24-16-5-3-1-2-4-6-17-25-30(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28/h6-15,17-23H,1-5,16,24-25H2/q+1
InChIKeyOKADBDWRDIIWCQ-UHFFFAOYSA-N
MW480.45 g/mol
LogP7.27
Rot. Bonds12

About 10-bromodec-2-enyl(triphenyl)phosphanium

10-bromodec-2-enyl(triphenyl)phosphanium (PubChem CID 174231321) has the molecular formula C28H33BrP+ and a molecular weight of 480.45 g/mol. Its IUPAC name is 10-bromodec-2-enyl(triphenyl)phosphanium.

Molecular Properties

Compound Name10-bromodec-2-enyl(triphenyl)phosphanium
PubChem CID174231321
Molecular FormulaC28H33BrP+
Molecular Weight480.45 g/mol
Exact Mass479.15
IUPAC Name10-bromodec-2-enyl(triphenyl)phosphanium
SMILESBrCCCCCCCC=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33BrP/c29-24-16-5-3-1-2-4-6-17-25-30(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28/h6-15,17-23H,1-5,16,24-25H2/q+1
InChIKeyOKADBDWRDIIWCQ-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.45
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 10-bromodec-2-enyl(triphenyl)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

12-bromododec-2-enyl(triphenyl)phosphanium chloride
CID 174231391
10-bromodec-2-enyl(triphenyl)phosphanium bromide
CID 174231358
12-iodododec-2-enyl(triphenyl)phosphanium
CID 174231296
9-chloronon-2-enyl(triphenyl)phosphanium chloride
CID 174231324
triphenyl-[(E)-6-phenylhex-2-enyl]phosphanium
CID 101160336
6-chlorohex-2-enyl(triphenyl)phosphanium bromide
CID 174231395
[(E)-4-bromobut-2-enyl]-triphenylphosphanium;hydrobromide
CID 20833566
8-bromooctyl(triphenyl)phosphanium
CID 11991463
5-bromopentyl(triphenyl)phosphanium
CID 53436148
[(12E,24E,36E,48E,60E)-hexahexaconta-12,24,36,48,60-pentaenyl]-triphenylphosphanium
CID 10796462
[(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium
CID 101375603
triphenyl-[(Z)-tetradec-7-enyl]phosphanium
CID 42631990

Frequently Asked Questions

What is the IUPAC name of 10-bromodec-2-enyl(triphenyl)phosphanium?
The IUPAC name of 10-bromodec-2-enyl(triphenyl)phosphanium (CID 174231321) is 10-bromodec-2-enyl(triphenyl)phosphanium.
What is the SMILES notation for 10-bromodec-2-enyl(triphenyl)phosphanium?
The canonical SMILES for 10-bromodec-2-enyl(triphenyl)phosphanium is BrCCCCCCCC=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 10-bromodec-2-enyl(triphenyl)phosphanium?
The InChIKey is OKADBDWRDIIWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33BrP/c29-24-16-5-3-1-2-4-6-17-25-30(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28/h6-15,17-23H,1-5,16,24-25H2/q+1.
What are the key properties of 10-bromodec-2-enyl(triphenyl)phosphanium?
10-bromodec-2-enyl(triphenyl)phosphanium has a molecular weight of 480.45 g/mol, XLogP of 7.27, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromodec-2-enyl(triphenyl)phosphanium is sourced from PubChem (CID 174231321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).