cyclopenta-1,3-dien-1-yloxy-dicyclopentyl-cyclopentylimino-λ5-phosphane

C20H32NOP — CID 90966939

IUPACcyclopenta-1,3-dien-1-yloxy-dicyclopentyl-cyclopentylimino-λ5-phosphane
SMILESC1=CCC(OP(=NC2CCCC2)(C2CCCC2)C2CCCC2)=C1
InChIInChI=1S/C20H32NOP/c1-2-10-17(9-1)21-23(19-13-5-6-14-19,20-15-7-8-16-20)22-18-11-3-4-12-18/h3-4,11,17,19-20H,1-2,5-10,12-16H2
InChIKeyKUAMJSMFYQXDQH-UHFFFAOYSA-N
MW333.46 g/mol
LogP6.79
Rot. Bonds5

About cyclopenta-1,3-dien-1-yloxy-dicyclopentyl-cyclopentylimino-λ5-phosphane

cyclopenta-1,3-dien-1-yloxy-dicyclopentyl-cyclopentylimino-λ5-phosphane (PubChem CID 90966939) has the molecular formula C20H32NOP and a molecular weight of 333.46 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yloxy-dicyclopentyl-cyclopentylimino-λ5-phosphane.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yloxy-dicyclopentyl-cyclopentylimino-λ5-phosphane
PubChem CID90966939
Molecular FormulaC20H32NOP
Molecular Weight333.46 g/mol
Exact Mass333.22
IUPAC Namecyclopenta-1,3-dien-1-yloxy-dicyclopentyl-cyclopentylimino-λ5-phosphane
SMILESC1=CCC(OP(=NC2CCCC2)(C2CCCC2)C2CCCC2)=C1
InChIInChI=1S/C20H32NOP/c1-2-10-17(9-1)21-23(19-13-5-6-14-19,20-15-7-8-16-20)22-18-11-3-4-12-18/h3-4,11,17,19-20H,1-2,5-10,12-16H2
InChIKeyKUAMJSMFYQXDQH-UHFFFAOYSA-N
XLogP6.79
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.46
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-yloxy-dicyclopentyl-cyclopentylimino-λ5-phosphane?
The IUPAC name of cyclopenta-1,3-dien-1-yloxy-dicyclopentyl-cyclopentylimino-λ5-phosphane (CID 90966939) is cyclopenta-1,3-dien-1-yloxy-dicyclopentyl-cyclopentylimino-λ5-phosphane.
What is the SMILES notation for cyclopenta-1,3-dien-1-yloxy-dicyclopentyl-cyclopentylimino-λ5-phosphane?
The canonical SMILES for cyclopenta-1,3-dien-1-yloxy-dicyclopentyl-cyclopentylimino-λ5-phosphane is C1=CCC(OP(=NC2CCCC2)(C2CCCC2)C2CCCC2)=C1.
What is the InChIKey of cyclopenta-1,3-dien-1-yloxy-dicyclopentyl-cyclopentylimino-λ5-phosphane?
The InChIKey is KUAMJSMFYQXDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32NOP/c1-2-10-17(9-1)21-23(19-13-5-6-14-19,20-15-7-8-16-20)22-18-11-3-4-12-18/h3-4,11,17,19-20H,1-2,5-10,12-16H2.
What are the key properties of cyclopenta-1,3-dien-1-yloxy-dicyclopentyl-cyclopentylimino-λ5-phosphane?
cyclopenta-1,3-dien-1-yloxy-dicyclopentyl-cyclopentylimino-λ5-phosphane has a molecular weight of 333.46 g/mol, XLogP of 6.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-yloxy-dicyclopentyl-cyclopentylimino-λ5-phosphane is sourced from PubChem (CID 90966939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).