cyclopenta-1,3-dien-1-yl(tetraethyl)-λ5-phosphane

C13H25P — CID 70395496

IUPACcyclopenta-1,3-dien-1-yl(tetraethyl)-λ5-phosphane
SMILESCCP(CC)(CC)(CC)C1=CC=CC1
InChIInChI=1S/C13H25P/c1-5-14(6-2,7-3,8-4)13-11-9-10-12-13/h9-11H,5-8,12H2,1-4H3
InChIKeyTUFYNQAVXIBJFH-UHFFFAOYSA-N
MW212.32 g/mol
LogP4.46
Rot. Bonds5

About cyclopenta-1,3-dien-1-yl(tetraethyl)-λ5-phosphane

cyclopenta-1,3-dien-1-yl(tetraethyl)-λ5-phosphane (PubChem CID 70395496) has the molecular formula C13H25P and a molecular weight of 212.32 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yl(tetraethyl)-λ5-phosphane.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yl(tetraethyl)-λ5-phosphane
PubChem CID70395496
Molecular FormulaC13H25P
Molecular Weight212.32 g/mol
Exact Mass212.17
IUPAC Namecyclopenta-1,3-dien-1-yl(tetraethyl)-λ5-phosphane
SMILESCCP(CC)(CC)(CC)C1=CC=CC1
InChIInChI=1S/C13H25P/c1-5-14(6-2,7-3,8-4)13-11-9-10-12-13/h9-11H,5-8,12H2,1-4H3
InChIKeyTUFYNQAVXIBJFH-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 54.46
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(tetraethyl)-λ5-phosphane?
The IUPAC name of cyclopenta-1,3-dien-1-yl(tetraethyl)-λ5-phosphane (CID 70395496) is cyclopenta-1,3-dien-1-yl(tetraethyl)-λ5-phosphane.
What is the SMILES notation for cyclopenta-1,3-dien-1-yl(tetraethyl)-λ5-phosphane?
The canonical SMILES for cyclopenta-1,3-dien-1-yl(tetraethyl)-λ5-phosphane is CCP(CC)(CC)(CC)C1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-dien-1-yl(tetraethyl)-λ5-phosphane?
The InChIKey is TUFYNQAVXIBJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25P/c1-5-14(6-2,7-3,8-4)13-11-9-10-12-13/h9-11H,5-8,12H2,1-4H3.
What are the key properties of cyclopenta-1,3-dien-1-yl(tetraethyl)-λ5-phosphane?
cyclopenta-1,3-dien-1-yl(tetraethyl)-λ5-phosphane has a molecular weight of 212.32 g/mol, XLogP of 4.46, 5 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(tetraethyl)-λ5-phosphane is sourced from PubChem (CID 70395496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).