bromo-cyclopentyl-propylphosphane

C16H32Br2P2 — CID 139995688

IUPACbromo-cyclopentyl-propylphosphane
SMILESCCCP(Br)C1CCCC1.CCCP(Br)C1CCCC1
InChIInChI=1S/2C8H16BrP/c2*1-2-7-10(9)8-5-3-4-6-8/h2*8H,2-7H2,1H3
InChIKeyXPWIQKHJYMUOIJ-UHFFFAOYSA-N
MW446.19 g/mol
LogP8.26
Rot. Bonds6

About bromo-cyclopentyl-propylphosphane

bromo-cyclopentyl-propylphosphane (PubChem CID 139995688) has the molecular formula C16H32Br2P2 and a molecular weight of 446.19 g/mol. Its IUPAC name is bromo-cyclopentyl-propylphosphane.

Molecular Properties

Compound Namebromo-cyclopentyl-propylphosphane
PubChem CID139995688
Molecular FormulaC16H32Br2P2
Molecular Weight446.19 g/mol
Exact Mass444.03
IUPAC Namebromo-cyclopentyl-propylphosphane
SMILESCCCP(Br)C1CCCC1.CCCP(Br)C1CCCC1
InChIInChI=1S/2C8H16BrP/c2*1-2-7-10(9)8-5-3-4-6-8/h2*8H,2-7H2,1H3
InChIKeyXPWIQKHJYMUOIJ-UHFFFAOYSA-N
XLogP8.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.19
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bromo-cyclopentyl-propylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bromo-cyclopentyl-propylphosphane?
The IUPAC name of bromo-cyclopentyl-propylphosphane (CID 139995688) is bromo-cyclopentyl-propylphosphane.
What is the SMILES notation for bromo-cyclopentyl-propylphosphane?
The canonical SMILES for bromo-cyclopentyl-propylphosphane is CCCP(Br)C1CCCC1.CCCP(Br)C1CCCC1.
What is the InChIKey of bromo-cyclopentyl-propylphosphane?
The InChIKey is XPWIQKHJYMUOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16BrP/c2*1-2-7-10(9)8-5-3-4-6-8/h2*8H,2-7H2,1H3.
What are the key properties of bromo-cyclopentyl-propylphosphane?
bromo-cyclopentyl-propylphosphane has a molecular weight of 446.19 g/mol, XLogP of 8.26, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-cyclopentyl-propylphosphane is sourced from PubChem (CID 139995688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).