di(cyclobutyl)-[1-di(cyclobutyl)phosphanylpentyl]phosphane

C21H38P2 — CID 90109069

IUPACdi(cyclobutyl)-[1-di(cyclobutyl)phosphanylpentyl]phosphane
SMILESCCCCC(P(C1CCC1)C1CCC1)P(C1CCC1)C1CCC1
InChIInChI=1S/C21H38P2/c1-2-3-16-21(22(17-8-4-9-17)18-10-5-11-18)23(19-12-6-13-19)20-14-7-15-20/h17-21H,2-16H2,1H3
InChIKeyQHNCBVWYPTZZSZ-UHFFFAOYSA-N
MW352.48 g/mol
LogP7.68
Rot. Bonds9

About di(cyclobutyl)-[1-di(cyclobutyl)phosphanylpentyl]phosphane

di(cyclobutyl)-[1-di(cyclobutyl)phosphanylpentyl]phosphane (PubChem CID 90109069) has the molecular formula C21H38P2 and a molecular weight of 352.48 g/mol. Its IUPAC name is di(cyclobutyl)-[1-di(cyclobutyl)phosphanylpentyl]phosphane.

Molecular Properties

Compound Namedi(cyclobutyl)-[1-di(cyclobutyl)phosphanylpentyl]phosphane
PubChem CID90109069
Molecular FormulaC21H38P2
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC Namedi(cyclobutyl)-[1-di(cyclobutyl)phosphanylpentyl]phosphane
SMILESCCCCC(P(C1CCC1)C1CCC1)P(C1CCC1)C1CCC1
InChIInChI=1S/C21H38P2/c1-2-3-16-21(22(17-8-4-9-17)18-10-5-11-18)23(19-12-6-13-19)20-14-7-15-20/h17-21H,2-16H2,1H3
InChIKeyQHNCBVWYPTZZSZ-UHFFFAOYSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze di(cyclobutyl)-[1-di(cyclobutyl)phosphanylpentyl]phosphane 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

1-dipentylphosphanylpentyl(dipentyl)phosphane
CID 90109167
1-dipropylphosphanylpentyl(dipropyl)phosphane
CID 90110051
di(cyclobutyl)-octylphosphane
CID 151646814
butyl-cyclopentyl-methylphosphane
CID 155308845
1-dihexylphosphanyloctyl(dihexyl)phosphane
CID 90111410
1-dihexylphosphanylhexyl(dihexyl)phosphane
CID 90112069
dibutyl(1-dibutylphosphanyloctyl)phosphane
CID 90109287
cyclopentyl-octyl-propan-2-ylphosphane
CID 57115413
undecan-5-ylcyclohexane
CID 524419
1-cyclobutylnonan-1-amine
CID 64986616
butyl(triheptyl)phosphanium
CID 87777247
tributyl(tridecyl)phosphanium
CID 87194469

Frequently Asked Questions

What is the IUPAC name of di(cyclobutyl)-[1-di(cyclobutyl)phosphanylpentyl]phosphane?
The IUPAC name of di(cyclobutyl)-[1-di(cyclobutyl)phosphanylpentyl]phosphane (CID 90109069) is di(cyclobutyl)-[1-di(cyclobutyl)phosphanylpentyl]phosphane.
What is the SMILES notation for di(cyclobutyl)-[1-di(cyclobutyl)phosphanylpentyl]phosphane?
The canonical SMILES for di(cyclobutyl)-[1-di(cyclobutyl)phosphanylpentyl]phosphane is CCCCC(P(C1CCC1)C1CCC1)P(C1CCC1)C1CCC1.
What is the InChIKey of di(cyclobutyl)-[1-di(cyclobutyl)phosphanylpentyl]phosphane?
The InChIKey is QHNCBVWYPTZZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38P2/c1-2-3-16-21(22(17-8-4-9-17)18-10-5-11-18)23(19-12-6-13-19)20-14-7-15-20/h17-21H,2-16H2,1H3.
What are the key properties of di(cyclobutyl)-[1-di(cyclobutyl)phosphanylpentyl]phosphane?
di(cyclobutyl)-[1-di(cyclobutyl)phosphanylpentyl]phosphane has a molecular weight of 352.48 g/mol, XLogP of 7.68, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclobutyl)-[1-di(cyclobutyl)phosphanylpentyl]phosphane is sourced from PubChem (CID 90109069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).