6-chlorohex-2-enyl(triphenyl)phosphanium bromide

C24H25BrClP — CID 174231395

IUPAC6-chlorohex-2-enyl(triphenyl)phosphanium bromide
SMILESClCCCC=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C24H25ClP.BrH/c25-20-12-1-2-13-21-26(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24;/h2-11,13-19H,1,12,20-21H2;1H/q+1;/p-1
InChIKeyIUOWIYLBXBNKRJ-UHFFFAOYSA-M
MW459.80 g/mol
LogP2.56
Rot. Bonds8

About 6-chlorohex-2-enyl(triphenyl)phosphanium bromide

6-chlorohex-2-enyl(triphenyl)phosphanium bromide (PubChem CID 174231395) has the molecular formula C24H25BrClP and a molecular weight of 459.80 g/mol. Its IUPAC name is 6-chlorohex-2-enyl(triphenyl)phosphanium bromide.

Molecular Properties

Compound Name6-chlorohex-2-enyl(triphenyl)phosphanium bromide
PubChem CID174231395
Molecular FormulaC24H25BrClP
Molecular Weight459.80 g/mol
Exact Mass458.06
IUPAC Name6-chlorohex-2-enyl(triphenyl)phosphanium bromide
SMILESClCCCC=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C24H25ClP.BrH/c25-20-12-1-2-13-21-26(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24;/h2-11,13-19H,1,12,20-21H2;1H/q+1;/p-1
InChIKeyIUOWIYLBXBNKRJ-UHFFFAOYSA-M
XLogP2.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.80
LogP ≤ 52.56
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

9-chloronon-2-enyl(triphenyl)phosphanium chloride
CID 174231324
10-bromodec-2-enyl(triphenyl)phosphanium bromide
CID 174231358
triphenyl-[(E)-6-phenylhex-2-enyl]phosphanium
CID 101160336
10-bromodec-2-enyl(triphenyl)phosphanium
CID 174231321
12-iodododec-2-enyl(triphenyl)phosphanium
CID 174231296
12-bromododec-2-enyl(triphenyl)phosphanium chloride
CID 174231391
penta-2,4-dienyl(triphenyl)phosphanium bromide
CID 72767674
[(E)-4-hydroxybut-2-enyl]-triphenylphosphanium
CID 10894920
triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium
CID 11283206
[(E)-4-bromobut-2-enyl]-triphenylphosphanium;hydrobromide
CID 20833566
3-chloropropyl(triphenyl)phosphanium;gold
CID 71396572
[(2Z,4E)-hexa-2,4-dienyl]-triphenylphosphanium
CID 13156160

Frequently Asked Questions

What is the IUPAC name of 6-chlorohex-2-enyl(triphenyl)phosphanium bromide?
The IUPAC name of 6-chlorohex-2-enyl(triphenyl)phosphanium bromide (CID 174231395) is 6-chlorohex-2-enyl(triphenyl)phosphanium bromide.
What is the SMILES notation for 6-chlorohex-2-enyl(triphenyl)phosphanium bromide?
The canonical SMILES for 6-chlorohex-2-enyl(triphenyl)phosphanium bromide is ClCCCC=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of 6-chlorohex-2-enyl(triphenyl)phosphanium bromide?
The InChIKey is IUOWIYLBXBNKRJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H25ClP.BrH/c25-20-12-1-2-13-21-26(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24;/h2-11,13-19H,1,12,20-21H2;1H/q+1;/p-1.
What are the key properties of 6-chlorohex-2-enyl(triphenyl)phosphanium bromide?
6-chlorohex-2-enyl(triphenyl)phosphanium bromide has a molecular weight of 459.80 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorohex-2-enyl(triphenyl)phosphanium bromide is sourced from PubChem (CID 174231395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).