cyclopentyl-[[cyclopentyl(propan-2-yl)phosphanyl]methyl]-propan-2-ylphosphane;dihydrobromide

C17H36Br2P2 — CID 173222146

IUPACcyclopentyl-[[cyclopentyl(propan-2-yl)phosphanyl]methyl]-propan-2-ylphosphane;dihydrobromide
SMILESBr.Br.CC(C)P(CP(C(C)C)C1CCCC1)C1CCCC1
InChIInChI=1S/C17H34P2.2BrH/c1-14(2)18(16-9-5-6-10-16)13-19(15(3)4)17-11-7-8-12-17;;/h14-17H,5-13H2,1-4H3;2*1H
InChIKeyQVMUDMDGMIQNJS-UHFFFAOYSA-N
MW462.23 g/mol
LogP7.77
Rot. Bonds6

About cyclopentyl-[[cyclopentyl(propan-2-yl)phosphanyl]methyl]-propan-2-ylphosphane;dihydrobromide

cyclopentyl-[[cyclopentyl(propan-2-yl)phosphanyl]methyl]-propan-2-ylphosphane;dihydrobromide (PubChem CID 173222146) has the molecular formula C17H36Br2P2 and a molecular weight of 462.23 g/mol. Its IUPAC name is cyclopentyl-[[cyclopentyl(propan-2-yl)phosphanyl]methyl]-propan-2-ylphosphane;dihydrobromide.

Molecular Properties

Compound Namecyclopentyl-[[cyclopentyl(propan-2-yl)phosphanyl]methyl]-propan-2-ylphosphane;dihydrobromide
PubChem CID173222146
Molecular FormulaC17H36Br2P2
Molecular Weight462.23 g/mol
Exact Mass460.07
IUPAC Namecyclopentyl-[[cyclopentyl(propan-2-yl)phosphanyl]methyl]-propan-2-ylphosphane;dihydrobromide
SMILESBr.Br.CC(C)P(CP(C(C)C)C1CCCC1)C1CCCC1
InChIInChI=1S/C17H34P2.2BrH/c1-14(2)18(16-9-5-6-10-16)13-19(15(3)4)17-11-7-8-12-17;;/h14-17H,5-13H2,1-4H3;2*1H
InChIKeyQVMUDMDGMIQNJS-UHFFFAOYSA-N
XLogP7.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.23
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclopentyl-[[cyclopentyl(propan-2-yl)phosphanyl]methyl]-propan-2-ylphosphane;dihydrobromide with MolForge

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

Launch Full Analysis

Related Compounds

CID 134991219
CID 134991219
Dibutyl(dicyclopentyl)phosphanium
CID 66716963
DBtPF
CID 73357432
Cyclopentyl-[[cyclopentyl(propan-2-yl)phosphaniumyl]methyl]-propan-2-ylphosphanium dibromide
CID 88029729
Cyclopentyl-[[cyclopentyl(propyl)phosphaniumyl]methyl]-propylphosphanium dibromide
CID 88030882
Carbanide;bis(cyclopentyl-di(propan-2-yl)phosphane);iron(2+)
CID 91654226
Bis(cyclopentyl-di(propan-2-yl)phosphane);iron
CID 92014246
Dicyclopentyl-di(propan-2-yl)phosphanium
CID 117974598
Carbanide;bis(ditert-butyl(cyclopentyl)phosphane);iron(2+)
CID 137319808
Bromo-cyclopentyl-propan-2-ylphosphane
CID 139995639
Bromo-cyclopentyl-propylphosphane
CID 139995688
Bromo-cyclopentyl-ethylphosphane
CID 139995702

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[[cyclopentyl(propan-2-yl)phosphanyl]methyl]-propan-2-ylphosphane;dihydrobromide?
The IUPAC name of cyclopentyl-[[cyclopentyl(propan-2-yl)phosphanyl]methyl]-propan-2-ylphosphane;dihydrobromide (CID 173222146) is cyclopentyl-[[cyclopentyl(propan-2-yl)phosphanyl]methyl]-propan-2-ylphosphane;dihydrobromide.
What is the SMILES notation for cyclopentyl-[[cyclopentyl(propan-2-yl)phosphanyl]methyl]-propan-2-ylphosphane;dihydrobromide?
The canonical SMILES for cyclopentyl-[[cyclopentyl(propan-2-yl)phosphanyl]methyl]-propan-2-ylphosphane;dihydrobromide is Br.Br.CC(C)P(CP(C(C)C)C1CCCC1)C1CCCC1.
What is the InChIKey of cyclopentyl-[[cyclopentyl(propan-2-yl)phosphanyl]methyl]-propan-2-ylphosphane;dihydrobromide?
The InChIKey is QVMUDMDGMIQNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34P2.2BrH/c1-14(2)18(16-9-5-6-10-16)13-19(15(3)4)17-11-7-8-12-17;;/h14-17H,5-13H2,1-4H3;2*1H.
What are the key properties of cyclopentyl-[[cyclopentyl(propan-2-yl)phosphanyl]methyl]-propan-2-ylphosphane;dihydrobromide?
cyclopentyl-[[cyclopentyl(propan-2-yl)phosphanyl]methyl]-propan-2-ylphosphane;dihydrobromide has a molecular weight of 462.23 g/mol, XLogP of 7.77, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[[cyclopentyl(propan-2-yl)phosphanyl]methyl]-propan-2-ylphosphane;dihydrobromide is sourced from PubChem (CID 173222146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).