cyclopenta-1,3-dien-1-yloxy-dihexyl-hexylimino-λ5-phosphane

C23H44NOP — CID 91068935

IUPACcyclopenta-1,3-dien-1-yloxy-dihexyl-hexylimino-λ5-phosphane
SMILESCCCCCCN=P(CCCCCC)(CCCCCC)OC1=CC=CC1
InChIInChI=1S/C23H44NOP/c1-4-7-10-15-20-24-26(21-16-11-8-5-2,22-17-12-9-6-3)25-23-18-13-14-19-23/h13-14,18H,4-12,15-17,19-22H2,1-3H3
InChIKeyCAKJGAQWSILKGF-UHFFFAOYSA-N
MW381.59 g/mol
LogP8.70
Rot. Bonds17

About cyclopenta-1,3-dien-1-yloxy-dihexyl-hexylimino-λ5-phosphane

cyclopenta-1,3-dien-1-yloxy-dihexyl-hexylimino-λ5-phosphane (PubChem CID 91068935) has the molecular formula C23H44NOP and a molecular weight of 381.59 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yloxy-dihexyl-hexylimino-λ5-phosphane.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yloxy-dihexyl-hexylimino-λ5-phosphane
PubChem CID91068935
Molecular FormulaC23H44NOP
Molecular Weight381.59 g/mol
Exact Mass381.32
IUPAC Namecyclopenta-1,3-dien-1-yloxy-dihexyl-hexylimino-λ5-phosphane
SMILESCCCCCCN=P(CCCCCC)(CCCCCC)OC1=CC=CC1
InChIInChI=1S/C23H44NOP/c1-4-7-10-15-20-24-26(21-16-11-8-5-2,22-17-12-9-6-3)25-23-18-13-14-19-23/h13-14,18H,4-12,15-17,19-22H2,1-3H3
InChIKeyCAKJGAQWSILKGF-UHFFFAOYSA-N
XLogP8.70
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.59
LogP ≤ 58.70
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-dihexyl-hexylimino-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-dihexyl-hexylimino-λ5-phosphane?
The IUPAC name of cyclopenta-1,3-dien-1-yloxy-dihexyl-hexylimino-λ5-phosphane (CID 91068935) is cyclopenta-1,3-dien-1-yloxy-dihexyl-hexylimino-λ5-phosphane.
What is the SMILES notation for cyclopenta-1,3-dien-1-yloxy-dihexyl-hexylimino-λ5-phosphane?
The canonical SMILES for cyclopenta-1,3-dien-1-yloxy-dihexyl-hexylimino-λ5-phosphane is CCCCCCN=P(CCCCCC)(CCCCCC)OC1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-dien-1-yloxy-dihexyl-hexylimino-λ5-phosphane?
The InChIKey is CAKJGAQWSILKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44NOP/c1-4-7-10-15-20-24-26(21-16-11-8-5-2,22-17-12-9-6-3)25-23-18-13-14-19-23/h13-14,18H,4-12,15-17,19-22H2,1-3H3.
What are the key properties of cyclopenta-1,3-dien-1-yloxy-dihexyl-hexylimino-λ5-phosphane?
cyclopenta-1,3-dien-1-yloxy-dihexyl-hexylimino-λ5-phosphane has a molecular weight of 381.59 g/mol, XLogP of 8.70, 17 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-dihexyl-hexylimino-λ5-phosphane is sourced from PubChem (CID 91068935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).