12-(1,4,7,10-tetraoxacyclotridec-12-ylmethyl)-1,4,7,10-tetraoxacyclotridecane

C19H36O8 — CID 560722

IUPAC12-(1,4,7,10-tetraoxacyclotridec-12-ylmethyl)-1,4,7,10-tetraoxacyclotridecane
SMILESC1COCCOCC(CC2COCCOCCOCCOC2)COCCO1
InChIInChI=1S/C19H36O8/c1-2-21-6-10-25-15-18(14-24-9-5-20-1)13-19-16-26-11-7-22-3-4-23-8-12-27-17-19/h18-19H,1-17H2
InChIKeyCMGVDPZDNJSTEX-UHFFFAOYSA-N
MW392.49 g/mol
LogP0.77
Rot. Bonds2

About 12-(1,4,7,10-tetraoxacyclotridec-12-ylmethyl)-1,4,7,10-tetraoxacyclotridecane

12-(1,4,7,10-tetraoxacyclotridec-12-ylmethyl)-1,4,7,10-tetraoxacyclotridecane (PubChem CID 560722) has the molecular formula C19H36O8 and a molecular weight of 392.49 g/mol. Its IUPAC name is 12-(1,4,7,10-tetraoxacyclotridec-12-ylmethyl)-1,4,7,10-tetraoxacyclotridecane.

Molecular Properties

Compound Name12-(1,4,7,10-tetraoxacyclotridec-12-ylmethyl)-1,4,7,10-tetraoxacyclotridecane
PubChem CID560722
Molecular FormulaC19H36O8
Molecular Weight392.49 g/mol
Exact Mass392.24
IUPAC Name12-(1,4,7,10-tetraoxacyclotridec-12-ylmethyl)-1,4,7,10-tetraoxacyclotridecane
SMILESC1COCCOCC(CC2COCCOCCOCCOC2)COCCO1
InChIInChI=1S/C19H36O8/c1-2-21-6-10-25-15-18(14-24-9-5-20-1)13-19-16-26-11-7-22-3-4-23-8-12-27-17-19/h18-19H,1-17H2
InChIKeyCMGVDPZDNJSTEX-UHFFFAOYSA-N
XLogP0.77
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 12-(1,4,7,10-tetraoxacyclotridec-12-ylmethyl)-1,4,7,10-tetraoxacyclotridecane 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 12-(1,4,7,10-tetraoxacyclotridec-12-ylmethyl)-1,4,7,10-tetraoxacyclotridecane?
The IUPAC name of 12-(1,4,7,10-tetraoxacyclotridec-12-ylmethyl)-1,4,7,10-tetraoxacyclotridecane (CID 560722) is 12-(1,4,7,10-tetraoxacyclotridec-12-ylmethyl)-1,4,7,10-tetraoxacyclotridecane.
What is the SMILES notation for 12-(1,4,7,10-tetraoxacyclotridec-12-ylmethyl)-1,4,7,10-tetraoxacyclotridecane?
The canonical SMILES for 12-(1,4,7,10-tetraoxacyclotridec-12-ylmethyl)-1,4,7,10-tetraoxacyclotridecane is C1COCCOCC(CC2COCCOCCOCCOC2)COCCO1.
What is the InChIKey of 12-(1,4,7,10-tetraoxacyclotridec-12-ylmethyl)-1,4,7,10-tetraoxacyclotridecane?
The InChIKey is CMGVDPZDNJSTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O8/c1-2-21-6-10-25-15-18(14-24-9-5-20-1)13-19-16-26-11-7-22-3-4-23-8-12-27-17-19/h18-19H,1-17H2.
What are the key properties of 12-(1,4,7,10-tetraoxacyclotridec-12-ylmethyl)-1,4,7,10-tetraoxacyclotridecane?
12-(1,4,7,10-tetraoxacyclotridec-12-ylmethyl)-1,4,7,10-tetraoxacyclotridecane has a molecular weight of 392.49 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(1,4,7,10-tetraoxacyclotridec-12-ylmethyl)-1,4,7,10-tetraoxacyclotridecane is sourced from PubChem (CID 560722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).