[diphenyl-(1-propylcyclopentyl)methyl]phosphane

C21H27P — CID 166686314

IUPAC[diphenyl-(1-propylcyclopentyl)methyl]phosphane
SMILESCCCC1(C(P)(c2ccccc2)c2ccccc2)CCCC1
InChIInChI=1S/C21H27P/c1-2-15-20(16-9-10-17-20)21(22,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14H,2,9-10,15-17,22H2,1H3
InChIKeyVBHVCROVJLJJRR-UHFFFAOYSA-N
MW310.42 g/mol
LogP6.17
Rot. Bonds5

About [diphenyl-(1-propylcyclopentyl)methyl]phosphane

[diphenyl-(1-propylcyclopentyl)methyl]phosphane (PubChem CID 166686314) has the molecular formula C21H27P and a molecular weight of 310.42 g/mol. Its IUPAC name is [diphenyl-(1-propylcyclopentyl)methyl]phosphane.

Molecular Properties

Compound Name[diphenyl-(1-propylcyclopentyl)methyl]phosphane
PubChem CID166686314
Molecular FormulaC21H27P
Molecular Weight310.42 g/mol
Exact Mass310.19
IUPAC Name[diphenyl-(1-propylcyclopentyl)methyl]phosphane
SMILESCCCC1(C(P)(c2ccccc2)c2ccccc2)CCCC1
InChIInChI=1S/C21H27P/c1-2-15-20(16-9-10-17-20)21(22,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14H,2,9-10,15-17,22H2,1H3
InChIKeyVBHVCROVJLJJRR-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.42
LogP ≤ 56.17
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 [diphenyl-(1-propylcyclopentyl)methyl]phosphane?
The IUPAC name of [diphenyl-(1-propylcyclopentyl)methyl]phosphane (CID 166686314) is [diphenyl-(1-propylcyclopentyl)methyl]phosphane.
What is the SMILES notation for [diphenyl-(1-propylcyclopentyl)methyl]phosphane?
The canonical SMILES for [diphenyl-(1-propylcyclopentyl)methyl]phosphane is CCCC1(C(P)(c2ccccc2)c2ccccc2)CCCC1.
What is the InChIKey of [diphenyl-(1-propylcyclopentyl)methyl]phosphane?
The InChIKey is VBHVCROVJLJJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27P/c1-2-15-20(16-9-10-17-20)21(22,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14H,2,9-10,15-17,22H2,1H3.
What are the key properties of [diphenyl-(1-propylcyclopentyl)methyl]phosphane?
[diphenyl-(1-propylcyclopentyl)methyl]phosphane has a molecular weight of 310.42 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl-(1-propylcyclopentyl)methyl]phosphane is sourced from PubChem (CID 166686314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).