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

C28H33Br2P — CID 174231358

IUPAC10-bromodec-2-enyl(triphenyl)phosphanium bromide
SMILESBrCCCCCCCC=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C28H33BrP.BrH/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;1H/q+1;/p-1
InChIKeyHYBQBZPPPLKFGH-UHFFFAOYSA-M
MW560.35 g/mol
LogP4.28
Rot. Bonds12

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

10-bromodec-2-enyl(triphenyl)phosphanium bromide (PubChem CID 174231358) has the molecular formula C28H33Br2P and a molecular weight of 560.35 g/mol. Its IUPAC name is 10-bromodec-2-enyl(triphenyl)phosphanium bromide.

Molecular Properties

Compound Name10-bromodec-2-enyl(triphenyl)phosphanium bromide
PubChem CID174231358
Molecular FormulaC28H33Br2P
Molecular Weight560.35 g/mol
Exact Mass558.07
IUPAC Name10-bromodec-2-enyl(triphenyl)phosphanium bromide
SMILESBrCCCCCCCC=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C28H33BrP.BrH/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;1H/q+1;/p-1
InChIKeyHYBQBZPPPLKFGH-UHFFFAOYSA-M
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.35
LogP ≤ 54.28
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'}

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Related Compounds

10-bromodec-2-enyl(triphenyl)phosphanium
CID 174231321
12-bromododec-2-enyl(triphenyl)phosphanium chloride
CID 174231391
12-iodododec-2-enyl(triphenyl)phosphanium
CID 174231296
9-chloronon-2-enyl(triphenyl)phosphanium chloride
CID 174231324
6-chlorohex-2-enyl(triphenyl)phosphanium bromide
CID 174231395
triphenyl-[(E)-6-phenylhex-2-enyl]phosphanium
CID 101160336
[(E)-4-bromobut-2-enyl]-triphenylphosphanium;hydrobromide
CID 20833566
5-bromopentyl(triphenyl)phosphanium
CID 53436148
8-bromooctyl(triphenyl)phosphanium
CID 11991463
[(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 bromide?
The IUPAC name of 10-bromodec-2-enyl(triphenyl)phosphanium bromide (CID 174231358) is 10-bromodec-2-enyl(triphenyl)phosphanium bromide.
What is the SMILES notation for 10-bromodec-2-enyl(triphenyl)phosphanium bromide?
The canonical SMILES for 10-bromodec-2-enyl(triphenyl)phosphanium bromide is BrCCCCCCCC=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of 10-bromodec-2-enyl(triphenyl)phosphanium bromide?
The InChIKey is HYBQBZPPPLKFGH-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H33BrP.BrH/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;1H/q+1;/p-1.
What are the key properties of 10-bromodec-2-enyl(triphenyl)phosphanium bromide?
10-bromodec-2-enyl(triphenyl)phosphanium bromide has a molecular weight of 560.35 g/mol, XLogP of 4.28, 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 bromide is sourced from PubChem (CID 174231358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).