dicyclopentyl-(2-phenylthiophen-3-yl)phosphane

C20H25PS — CID 175478780

IUPACdicyclopentyl-(2-phenylthiophen-3-yl)phosphane
SMILESc1ccc(-c2sccc2P(C2CCCC2)C2CCCC2)cc1
InChIInChI=1S/C20H25PS/c1-2-8-16(9-3-1)20-19(14-15-22-20)21(17-10-4-5-11-17)18-12-6-7-13-18/h1-3,8-9,14-15,17-18H,4-7,10-13H2
InChIKeyRFIZHZIVHHBMRH-UHFFFAOYSA-N
MW328.46 g/mol
LogP6.41
Rot. Bonds4

About dicyclopentyl-(2-phenylthiophen-3-yl)phosphane

dicyclopentyl-(2-phenylthiophen-3-yl)phosphane (PubChem CID 175478780) has the molecular formula C20H25PS and a molecular weight of 328.46 g/mol. Its IUPAC name is dicyclopentyl-(2-phenylthiophen-3-yl)phosphane.

Molecular Properties

Compound Namedicyclopentyl-(2-phenylthiophen-3-yl)phosphane
PubChem CID175478780
Molecular FormulaC20H25PS
Molecular Weight328.46 g/mol
Exact Mass328.14
IUPAC Namedicyclopentyl-(2-phenylthiophen-3-yl)phosphane
SMILESc1ccc(-c2sccc2P(C2CCCC2)C2CCCC2)cc1
InChIInChI=1S/C20H25PS/c1-2-8-16(9-3-1)20-19(14-15-22-20)21(17-10-4-5-11-17)18-12-6-7-13-18/h1-3,8-9,14-15,17-18H,4-7,10-13H2
InChIKeyRFIZHZIVHHBMRH-UHFFFAOYSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicyclopentyl-(2-phenylthiophen-3-yl)phosphane?
The IUPAC name of dicyclopentyl-(2-phenylthiophen-3-yl)phosphane (CID 175478780) is dicyclopentyl-(2-phenylthiophen-3-yl)phosphane.
What is the SMILES notation for dicyclopentyl-(2-phenylthiophen-3-yl)phosphane?
The canonical SMILES for dicyclopentyl-(2-phenylthiophen-3-yl)phosphane is c1ccc(-c2sccc2P(C2CCCC2)C2CCCC2)cc1.
What is the InChIKey of dicyclopentyl-(2-phenylthiophen-3-yl)phosphane?
The InChIKey is RFIZHZIVHHBMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25PS/c1-2-8-16(9-3-1)20-19(14-15-22-20)21(17-10-4-5-11-17)18-12-6-7-13-18/h1-3,8-9,14-15,17-18H,4-7,10-13H2.
What are the key properties of dicyclopentyl-(2-phenylthiophen-3-yl)phosphane?
dicyclopentyl-(2-phenylthiophen-3-yl)phosphane has a molecular weight of 328.46 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclopentyl-(2-phenylthiophen-3-yl)phosphane is sourced from PubChem (CID 175478780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).