5,10,15,20-tetraethynyl-5,10,15,20-tetramethoxycycloicosa-1,3,6,8,11,13,16,18-octayne

C32H16O4 — CID 12036891

IUPAC5,10,15,20-tetraethynyl-5,10,15,20-tetramethoxycycloicosa-1,3,6,8,11,13,16,18-octayne
SMILESC#CC1(OC)C#CC#CC(C#C)(OC)C#CC#CC(C#C)(OC)C#CC#CC(C#C)(OC)C#CC#C1
InChIInChI=1S/C32H16O4/c1-9-29(33-5)21-13-15-23-30(10-2,34-6)25-17-19-27-32(12-4,36-8)28-20-18-26-31(11-3,35-7)24-16-14-22-29/h1-4H,5-8H3
InChIKeyKBAADEXLCTXREQ-UHFFFAOYSA-N
MW464.48 g/mol
LogP0.10
Rot. Bonds4

About 5,10,15,20-tetraethynyl-5,10,15,20-tetramethoxycycloicosa-1,3,6,8,11,13,16,18-octayne

5,10,15,20-tetraethynyl-5,10,15,20-tetramethoxycycloicosa-1,3,6,8,11,13,16,18-octayne (PubChem CID 12036891) has the molecular formula C32H16O4 and a molecular weight of 464.48 g/mol. Its IUPAC name is 5,10,15,20-tetraethynyl-5,10,15,20-tetramethoxycycloicosa-1,3,6,8,11,13,16,18-octayne.

Molecular Properties

Compound Name5,10,15,20-tetraethynyl-5,10,15,20-tetramethoxycycloicosa-1,3,6,8,11,13,16,18-octayne
PubChem CID12036891
Molecular FormulaC32H16O4
Molecular Weight464.48 g/mol
Exact Mass464.10
IUPAC Name5,10,15,20-tetraethynyl-5,10,15,20-tetramethoxycycloicosa-1,3,6,8,11,13,16,18-octayne
SMILESC#CC1(OC)C#CC#CC(C#C)(OC)C#CC#CC(C#C)(OC)C#CC#CC(C#C)(OC)C#CC#C1
InChIInChI=1S/C32H16O4/c1-9-29(33-5)21-13-15-23-30(10-2,34-6)25-17-19-27-32(12-4,36-8)28-20-18-26-31(11-3,35-7)24-16-14-22-29/h1-4H,5-8H3
InChIKeyKBAADEXLCTXREQ-UHFFFAOYSA-N
XLogP0.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,10,15,20-tetraethynyl-5,10,15,20-tetramethoxycycloicosa-1,3,6,8,11,13,16,18-octayne 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 5,10,15,20-tetraethynyl-5,10,15,20-tetramethoxycycloicosa-1,3,6,8,11,13,16,18-octayne?
The IUPAC name of 5,10,15,20-tetraethynyl-5,10,15,20-tetramethoxycycloicosa-1,3,6,8,11,13,16,18-octayne (CID 12036891) is 5,10,15,20-tetraethynyl-5,10,15,20-tetramethoxycycloicosa-1,3,6,8,11,13,16,18-octayne.
What is the SMILES notation for 5,10,15,20-tetraethynyl-5,10,15,20-tetramethoxycycloicosa-1,3,6,8,11,13,16,18-octayne?
The canonical SMILES for 5,10,15,20-tetraethynyl-5,10,15,20-tetramethoxycycloicosa-1,3,6,8,11,13,16,18-octayne is C#CC1(OC)C#CC#CC(C#C)(OC)C#CC#CC(C#C)(OC)C#CC#CC(C#C)(OC)C#CC#C1.
What is the InChIKey of 5,10,15,20-tetraethynyl-5,10,15,20-tetramethoxycycloicosa-1,3,6,8,11,13,16,18-octayne?
The InChIKey is KBAADEXLCTXREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H16O4/c1-9-29(33-5)21-13-15-23-30(10-2,34-6)25-17-19-27-32(12-4,36-8)28-20-18-26-31(11-3,35-7)24-16-14-22-29/h1-4H,5-8H3.
What are the key properties of 5,10,15,20-tetraethynyl-5,10,15,20-tetramethoxycycloicosa-1,3,6,8,11,13,16,18-octayne?
5,10,15,20-tetraethynyl-5,10,15,20-tetramethoxycycloicosa-1,3,6,8,11,13,16,18-octayne has a molecular weight of 464.48 g/mol, XLogP of 0.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetraethynyl-5,10,15,20-tetramethoxycycloicosa-1,3,6,8,11,13,16,18-octayne is sourced from PubChem (CID 12036891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).