cyclopenta-1,3-dien-1-yl(triethyl)phosphanium

C11H20P+ — CID 18764457

IUPACcyclopenta-1,3-dien-1-yl(triethyl)phosphanium
SMILESCC[P+](CC)(CC)C1=CC=CC1
InChIInChI=1S/C11H20P/c1-4-12(5-2,6-3)11-9-7-8-10-11/h7-9H,4-6,10H2,1-3H3/q+1
InChIKeyFPMBZEOPTPSNAY-UHFFFAOYSA-N
MW183.25 g/mol
LogP3.91
Rot. Bonds4

About cyclopenta-1,3-dien-1-yl(triethyl)phosphanium

cyclopenta-1,3-dien-1-yl(triethyl)phosphanium (PubChem CID 18764457) has the molecular formula C11H20P+ and a molecular weight of 183.25 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yl(triethyl)phosphanium.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yl(triethyl)phosphanium
PubChem CID18764457
Molecular FormulaC11H20P+
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namecyclopenta-1,3-dien-1-yl(triethyl)phosphanium
SMILESCC[P+](CC)(CC)C1=CC=CC1
InChIInChI=1S/C11H20P/c1-4-12(5-2,6-3)11-9-7-8-10-11/h7-9H,4-6,10H2,1-3H3/q+1
InChIKeyFPMBZEOPTPSNAY-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.91
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 cyclopenta-1,3-dien-1-yl(triethyl)phosphanium?
The IUPAC name of cyclopenta-1,3-dien-1-yl(triethyl)phosphanium (CID 18764457) is cyclopenta-1,3-dien-1-yl(triethyl)phosphanium.
What is the SMILES notation for cyclopenta-1,3-dien-1-yl(triethyl)phosphanium?
The canonical SMILES for cyclopenta-1,3-dien-1-yl(triethyl)phosphanium is CC[P+](CC)(CC)C1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-dien-1-yl(triethyl)phosphanium?
The InChIKey is FPMBZEOPTPSNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20P/c1-4-12(5-2,6-3)11-9-7-8-10-11/h7-9H,4-6,10H2,1-3H3/q+1.
What are the key properties of cyclopenta-1,3-dien-1-yl(triethyl)phosphanium?
cyclopenta-1,3-dien-1-yl(triethyl)phosphanium has a molecular weight of 183.25 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-yl(triethyl)phosphanium is sourced from PubChem (CID 18764457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).