dicyclopentyl(1-phenylprop-1-en-2-yl)phosphane

C19H27P — CID 140620468

IUPACdicyclopentyl(1-phenylprop-1-en-2-yl)phosphane
SMILESCC(=Cc1ccccc1)P(C1CCCC1)C1CCCC1
InChIInChI=1S/C19H27P/c1-16(15-17-9-3-2-4-10-17)20(18-11-5-6-12-18)19-13-7-8-14-19/h2-4,9-10,15,18-19H,5-8,11-14H2,1H3
InChIKeyYPHHVVSVQHTYQA-UHFFFAOYSA-N
MW286.40 g/mol
LogP6.41
Rot. Bonds4

About dicyclopentyl(1-phenylprop-1-en-2-yl)phosphane

dicyclopentyl(1-phenylprop-1-en-2-yl)phosphane (PubChem CID 140620468) has the molecular formula C19H27P and a molecular weight of 286.40 g/mol. Its IUPAC name is dicyclopentyl(1-phenylprop-1-en-2-yl)phosphane.

Molecular Properties

Compound Namedicyclopentyl(1-phenylprop-1-en-2-yl)phosphane
PubChem CID140620468
Molecular FormulaC19H27P
Molecular Weight286.40 g/mol
Exact Mass286.19
IUPAC Namedicyclopentyl(1-phenylprop-1-en-2-yl)phosphane
SMILESCC(=Cc1ccccc1)P(C1CCCC1)C1CCCC1
InChIInChI=1S/C19H27P/c1-16(15-17-9-3-2-4-10-17)20(18-11-5-6-12-18)19-13-7-8-14-19/h2-4,9-10,15,18-19H,5-8,11-14H2,1H3
InChIKeyYPHHVVSVQHTYQA-UHFFFAOYSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.40
LogP ≤ 56.41
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 dicyclopentyl(1-phenylprop-1-en-2-yl)phosphane?
The IUPAC name of dicyclopentyl(1-phenylprop-1-en-2-yl)phosphane (CID 140620468) is dicyclopentyl(1-phenylprop-1-en-2-yl)phosphane.
What is the SMILES notation for dicyclopentyl(1-phenylprop-1-en-2-yl)phosphane?
The canonical SMILES for dicyclopentyl(1-phenylprop-1-en-2-yl)phosphane is CC(=Cc1ccccc1)P(C1CCCC1)C1CCCC1.
What is the InChIKey of dicyclopentyl(1-phenylprop-1-en-2-yl)phosphane?
The InChIKey is YPHHVVSVQHTYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27P/c1-16(15-17-9-3-2-4-10-17)20(18-11-5-6-12-18)19-13-7-8-14-19/h2-4,9-10,15,18-19H,5-8,11-14H2,1H3.
What are the key properties of dicyclopentyl(1-phenylprop-1-en-2-yl)phosphane?
dicyclopentyl(1-phenylprop-1-en-2-yl)phosphane has a molecular weight of 286.40 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclopentyl(1-phenylprop-1-en-2-yl)phosphane is sourced from PubChem (CID 140620468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).