cyclopenta-1,3-dien-1-yloxy-dipentyl-pentylimino-λ5-phosphane

C20H38NOP — CID 90741962

IUPACcyclopenta-1,3-dien-1-yloxy-dipentyl-pentylimino-λ5-phosphane
SMILESCCCCCN=P(CCCCC)(CCCCC)OC1=CC=CC1
InChIInChI=1S/C20H38NOP/c1-4-7-12-17-21-23(18-13-8-5-2,19-14-9-6-3)22-20-15-10-11-16-20/h10-11,15H,4-9,12-14,16-19H2,1-3H3
InChIKeyQYTFYRTXHSUNGL-UHFFFAOYSA-N
MW339.50 g/mol
LogP7.53
Rot. Bonds14

About cyclopenta-1,3-dien-1-yloxy-dipentyl-pentylimino-λ5-phosphane

cyclopenta-1,3-dien-1-yloxy-dipentyl-pentylimino-λ5-phosphane (PubChem CID 90741962) has the molecular formula C20H38NOP and a molecular weight of 339.50 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yloxy-dipentyl-pentylimino-λ5-phosphane.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yloxy-dipentyl-pentylimino-λ5-phosphane
PubChem CID90741962
Molecular FormulaC20H38NOP
Molecular Weight339.50 g/mol
Exact Mass339.27
IUPAC Namecyclopenta-1,3-dien-1-yloxy-dipentyl-pentylimino-λ5-phosphane
SMILESCCCCCN=P(CCCCC)(CCCCC)OC1=CC=CC1
InChIInChI=1S/C20H38NOP/c1-4-7-12-17-21-23(18-13-8-5-2,19-14-9-6-3)22-20-15-10-11-16-20/h10-11,15H,4-9,12-14,16-19H2,1-3H3
InChIKeyQYTFYRTXHSUNGL-UHFFFAOYSA-N
XLogP7.53
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.50
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze cyclopenta-1,3-dien-1-yloxy-dipentyl-pentylimino-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-yloxy-dipentyl-pentylimino-λ5-phosphane?
The IUPAC name of cyclopenta-1,3-dien-1-yloxy-dipentyl-pentylimino-λ5-phosphane (CID 90741962) is cyclopenta-1,3-dien-1-yloxy-dipentyl-pentylimino-λ5-phosphane.
What is the SMILES notation for cyclopenta-1,3-dien-1-yloxy-dipentyl-pentylimino-λ5-phosphane?
The canonical SMILES for cyclopenta-1,3-dien-1-yloxy-dipentyl-pentylimino-λ5-phosphane is CCCCCN=P(CCCCC)(CCCCC)OC1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-dien-1-yloxy-dipentyl-pentylimino-λ5-phosphane?
The InChIKey is QYTFYRTXHSUNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38NOP/c1-4-7-12-17-21-23(18-13-8-5-2,19-14-9-6-3)22-20-15-10-11-16-20/h10-11,15H,4-9,12-14,16-19H2,1-3H3.
What are the key properties of cyclopenta-1,3-dien-1-yloxy-dipentyl-pentylimino-λ5-phosphane?
cyclopenta-1,3-dien-1-yloxy-dipentyl-pentylimino-λ5-phosphane has a molecular weight of 339.50 g/mol, XLogP of 7.53, 14 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-dipentyl-pentylimino-λ5-phosphane is sourced from PubChem (CID 90741962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).