3-(cyclopenten-1-yl)propyl-triphenylphosphanium bromide

C26H28BrP — CID 11259487

IUPAC3-(cyclopenten-1-yl)propyl-triphenylphosphanium bromide
SMILESC1=C(CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCC1.[Br-]
InChIInChI=1S/C26H28P.BrH/c1-4-16-24(17-5-1)27(25-18-6-2-7-19-25,26-20-8-3-9-21-26)22-12-15-23-13-10-11-14-23;/h1-9,13,16-21H,10-12,14-15,22H2;1H/q+1;/p-1
InChIKeyDQFHULKWJXPANT-UHFFFAOYSA-M
MW451.39 g/mol
LogP2.88
Rot. Bonds7

About 3-(cyclopenten-1-yl)propyl-triphenylphosphanium bromide

3-(cyclopenten-1-yl)propyl-triphenylphosphanium bromide (PubChem CID 11259487) has the molecular formula C26H28BrP and a molecular weight of 451.39 g/mol. Its IUPAC name is 3-(cyclopenten-1-yl)propyl-triphenylphosphanium bromide.

Molecular Properties

Compound Name3-(cyclopenten-1-yl)propyl-triphenylphosphanium bromide
PubChem CID11259487
Molecular FormulaC26H28BrP
Molecular Weight451.39 g/mol
Exact Mass450.11
IUPAC Name3-(cyclopenten-1-yl)propyl-triphenylphosphanium bromide
SMILESC1=C(CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCC1.[Br-]
InChIInChI=1S/C26H28P.BrH/c1-4-16-24(17-5-1)27(25-18-6-2-7-19-25,26-20-8-3-9-21-26)22-12-15-23-13-10-11-14-23;/h1-9,13,16-21H,10-12,14-15,22H2;1H/q+1;/p-1
InChIKeyDQFHULKWJXPANT-UHFFFAOYSA-M
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.39
LogP ≤ 52.88
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

triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
1-[4-(cyclopenten-1-yl)butyl]cyclopentene
CID 10420053
2-(cyclopenten-1-yl)ethylbenzene
CID 57211956
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
3-(cyclohexen-1-yl)-1-phenylpropan-1-amine
CID 173292845
1-(cyclohexen-1-yl)-5-phenyl-N-propylpentan-2-amine
CID 116662072
triphenyl(11-phenylundecyl)phosphanium
CID 23583359
1-(4-bromobutyl)cyclopentene
CID 14243708
oct-7-enyl(triphenyl)phosphanium bromide
CID 22627871
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
4-iodobutyl(triphenyl)phosphanium
CID 16760510
4-fluorobutyl(triphenyl)phosphanium
CID 21187191

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopenten-1-yl)propyl-triphenylphosphanium bromide?
The IUPAC name of 3-(cyclopenten-1-yl)propyl-triphenylphosphanium bromide (CID 11259487) is 3-(cyclopenten-1-yl)propyl-triphenylphosphanium bromide.
What is the SMILES notation for 3-(cyclopenten-1-yl)propyl-triphenylphosphanium bromide?
The canonical SMILES for 3-(cyclopenten-1-yl)propyl-triphenylphosphanium bromide is C1=C(CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCC1.[Br-].
What is the InChIKey of 3-(cyclopenten-1-yl)propyl-triphenylphosphanium bromide?
The InChIKey is DQFHULKWJXPANT-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H28P.BrH/c1-4-16-24(17-5-1)27(25-18-6-2-7-19-25,26-20-8-3-9-21-26)22-12-15-23-13-10-11-14-23;/h1-9,13,16-21H,10-12,14-15,22H2;1H/q+1;/p-1.
What are the key properties of 3-(cyclopenten-1-yl)propyl-triphenylphosphanium bromide?
3-(cyclopenten-1-yl)propyl-triphenylphosphanium bromide has a molecular weight of 451.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopenten-1-yl)propyl-triphenylphosphanium bromide is sourced from PubChem (CID 11259487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).