bromo-(cyclopentylmethyl)-triphenyl-λ5-phosphane

C24H26BrP — CID 118283191

IUPACbromo-(cyclopentylmethyl)-triphenyl-λ5-phosphane
SMILESBrP(CC1CCCC1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26BrP/c25-26(20-21-12-10-11-13-21,22-14-4-1-5-15-22,23-16-6-2-7-17-23)24-18-8-3-9-19-24/h1-9,14-19,21H,10-13,20H2
InChIKeyWSINXZKLVQVRIH-UHFFFAOYSA-N
MW425.35 g/mol
LogP6.02
Rot. Bonds5

About bromo-(cyclopentylmethyl)-triphenyl-λ5-phosphane

bromo-(cyclopentylmethyl)-triphenyl-λ5-phosphane (PubChem CID 118283191) has the molecular formula C24H26BrP and a molecular weight of 425.35 g/mol. Its IUPAC name is bromo-(cyclopentylmethyl)-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namebromo-(cyclopentylmethyl)-triphenyl-λ5-phosphane
PubChem CID118283191
Molecular FormulaC24H26BrP
Molecular Weight425.35 g/mol
Exact Mass424.10
IUPAC Namebromo-(cyclopentylmethyl)-triphenyl-λ5-phosphane
SMILESBrP(CC1CCCC1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26BrP/c25-26(20-21-12-10-11-13-21,22-14-4-1-5-15-22,23-16-6-2-7-17-23)24-18-8-3-9-19-24/h1-9,14-19,21H,10-13,20H2
InChIKeyWSINXZKLVQVRIH-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.35
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromo-(cyclopentylmethyl)-triphenyl-λ5-phosphane?
The IUPAC name of bromo-(cyclopentylmethyl)-triphenyl-λ5-phosphane (CID 118283191) is bromo-(cyclopentylmethyl)-triphenyl-λ5-phosphane.
What is the SMILES notation for bromo-(cyclopentylmethyl)-triphenyl-λ5-phosphane?
The canonical SMILES for bromo-(cyclopentylmethyl)-triphenyl-λ5-phosphane is BrP(CC1CCCC1)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bromo-(cyclopentylmethyl)-triphenyl-λ5-phosphane?
The InChIKey is WSINXZKLVQVRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrP/c25-26(20-21-12-10-11-13-21,22-14-4-1-5-15-22,23-16-6-2-7-17-23)24-18-8-3-9-19-24/h1-9,14-19,21H,10-13,20H2.
What are the key properties of bromo-(cyclopentylmethyl)-triphenyl-λ5-phosphane?
bromo-(cyclopentylmethyl)-triphenyl-λ5-phosphane has a molecular weight of 425.35 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-(cyclopentylmethyl)-triphenyl-λ5-phosphane is sourced from PubChem (CID 118283191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).