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

C16H25PS — CID 175479011

IUPACdicyclopentyl-(2-ethylthiophen-3-yl)phosphane
SMILESCCc1sccc1P(C1CCCC1)C1CCCC1
InChIInChI=1S/C16H25PS/c1-2-16-15(11-12-18-16)17(13-7-3-4-8-13)14-9-5-6-10-14/h11-14H,2-10H2,1H3
InChIKeyUMUKZZCRCIGEJB-UHFFFAOYSA-N
MW280.42 g/mol
LogP5.30
Rot. Bonds4

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

dicyclopentyl-(2-ethylthiophen-3-yl)phosphane (PubChem CID 175479011) has the molecular formula C16H25PS and a molecular weight of 280.42 g/mol. Its IUPAC name is dicyclopentyl-(2-ethylthiophen-3-yl)phosphane.

Molecular Properties

Compound Namedicyclopentyl-(2-ethylthiophen-3-yl)phosphane
PubChem CID175479011
Molecular FormulaC16H25PS
Molecular Weight280.42 g/mol
Exact Mass280.14
IUPAC Namedicyclopentyl-(2-ethylthiophen-3-yl)phosphane
SMILESCCc1sccc1P(C1CCCC1)C1CCCC1
InChIInChI=1S/C16H25PS/c1-2-16-15(11-12-18-16)17(13-7-3-4-8-13)14-9-5-6-10-14/h11-14H,2-10H2,1H3
InChIKeyUMUKZZCRCIGEJB-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.42
LogP ≤ 55.30
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-ethylthiophen-3-yl)phosphane?
The IUPAC name of dicyclopentyl-(2-ethylthiophen-3-yl)phosphane (CID 175479011) is dicyclopentyl-(2-ethylthiophen-3-yl)phosphane.
What is the SMILES notation for dicyclopentyl-(2-ethylthiophen-3-yl)phosphane?
The canonical SMILES for dicyclopentyl-(2-ethylthiophen-3-yl)phosphane is CCc1sccc1P(C1CCCC1)C1CCCC1.
What is the InChIKey of dicyclopentyl-(2-ethylthiophen-3-yl)phosphane?
The InChIKey is UMUKZZCRCIGEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25PS/c1-2-16-15(11-12-18-16)17(13-7-3-4-8-13)14-9-5-6-10-14/h11-14H,2-10H2,1H3.
What are the key properties of dicyclopentyl-(2-ethylthiophen-3-yl)phosphane?
dicyclopentyl-(2-ethylthiophen-3-yl)phosphane has a molecular weight of 280.42 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclopentyl-(2-ethylthiophen-3-yl)phosphane is sourced from PubChem (CID 175479011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).