di(cyclobutyl)-[2-di(cyclobutyl)phosphanylphenyl]phosphane

C22H32P2 — CID 90110127

IUPACdi(cyclobutyl)-[2-di(cyclobutyl)phosphanylphenyl]phosphane
SMILESc1ccc(P(C2CCC2)C2CCC2)c(P(C2CCC2)C2CCC2)c1
InChIInChI=1S/C22H32P2/c1-2-16-22(24(19-11-5-12-19)20-13-6-14-20)21(15-1)23(17-7-3-8-17)18-9-4-10-18/h1-2,15-20H,3-14H2
InChIKeyRGAOFDCVUCAWSR-UHFFFAOYSA-N
MW358.45 g/mol
LogP6.11
Rot. Bonds6

About di(cyclobutyl)-[2-di(cyclobutyl)phosphanylphenyl]phosphane

di(cyclobutyl)-[2-di(cyclobutyl)phosphanylphenyl]phosphane (PubChem CID 90110127) has the molecular formula C22H32P2 and a molecular weight of 358.45 g/mol. Its IUPAC name is di(cyclobutyl)-[2-di(cyclobutyl)phosphanylphenyl]phosphane.

Molecular Properties

Compound Namedi(cyclobutyl)-[2-di(cyclobutyl)phosphanylphenyl]phosphane
PubChem CID90110127
Molecular FormulaC22H32P2
Molecular Weight358.45 g/mol
Exact Mass358.20
IUPAC Namedi(cyclobutyl)-[2-di(cyclobutyl)phosphanylphenyl]phosphane
SMILESc1ccc(P(C2CCC2)C2CCC2)c(P(C2CCC2)C2CCC2)c1
InChIInChI=1S/C22H32P2/c1-2-16-22(24(19-11-5-12-19)20-13-6-14-20)21(15-1)23(17-7-3-8-17)18-9-4-10-18/h1-2,15-20H,3-14H2
InChIKeyRGAOFDCVUCAWSR-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.45
LogP ≤ 56.11
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 di(cyclobutyl)-[2-di(cyclobutyl)phosphanylphenyl]phosphane?
The IUPAC name of di(cyclobutyl)-[2-di(cyclobutyl)phosphanylphenyl]phosphane (CID 90110127) is di(cyclobutyl)-[2-di(cyclobutyl)phosphanylphenyl]phosphane.
What is the SMILES notation for di(cyclobutyl)-[2-di(cyclobutyl)phosphanylphenyl]phosphane?
The canonical SMILES for di(cyclobutyl)-[2-di(cyclobutyl)phosphanylphenyl]phosphane is c1ccc(P(C2CCC2)C2CCC2)c(P(C2CCC2)C2CCC2)c1.
What is the InChIKey of di(cyclobutyl)-[2-di(cyclobutyl)phosphanylphenyl]phosphane?
The InChIKey is RGAOFDCVUCAWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32P2/c1-2-16-22(24(19-11-5-12-19)20-13-6-14-20)21(15-1)23(17-7-3-8-17)18-9-4-10-18/h1-2,15-20H,3-14H2.
What are the key properties of di(cyclobutyl)-[2-di(cyclobutyl)phosphanylphenyl]phosphane?
di(cyclobutyl)-[2-di(cyclobutyl)phosphanylphenyl]phosphane has a molecular weight of 358.45 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclobutyl)-[2-di(cyclobutyl)phosphanylphenyl]phosphane is sourced from PubChem (CID 90110127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).