4,4,8,8,12,12-hexamethyl-2,6,10-trioxa-13-azatricyclo[7.3.1.05,13]tridecane

C15H27NO3 — CID 11821655

IUPAC4,4,8,8,12,12-hexamethyl-2,6,10-trioxa-13-azatricyclo[7.3.1.05,13]tridecane
SMILESCC1(C)COC2N3C1OCC(C)(C)C3OCC2(C)C
InChIInChI=1S/C15H27NO3/c1-13(2)7-17-11-15(5,6)9-19-12-14(3,4)8-18-10(13)16(11)12/h10-12H,7-9H2,1-6H3
InChIKeyMVAXQWVKSZYACY-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.44
Rot. Bonds

About 4,4,8,8,12,12-hexamethyl-2,6,10-trioxa-13-azatricyclo[7.3.1.05,13]tridecane

4,4,8,8,12,12-hexamethyl-2,6,10-trioxa-13-azatricyclo[7.3.1.05,13]tridecane (PubChem CID 11821655) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4,4,8,8,12,12-hexamethyl-2,6,10-trioxa-13-azatricyclo[7.3.1.05,13]tridecane.

Molecular Properties

Compound Name4,4,8,8,12,12-hexamethyl-2,6,10-trioxa-13-azatricyclo[7.3.1.05,13]tridecane
PubChem CID11821655
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4,4,8,8,12,12-hexamethyl-2,6,10-trioxa-13-azatricyclo[7.3.1.05,13]tridecane
SMILESCC1(C)COC2N3C1OCC(C)(C)C3OCC2(C)C
InChIInChI=1S/C15H27NO3/c1-13(2)7-17-11-15(5,6)9-19-12-14(3,4)8-18-10(13)16(11)12/h10-12H,7-9H2,1-6H3
InChIKeyMVAXQWVKSZYACY-UHFFFAOYSA-N
XLogP2.44
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,4,8,8,12,12-hexamethyl-2,6,10-trioxa-13-azatricyclo[7.3.1.05,13]tridecane 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 4,4,8,8,12,12-hexamethyl-2,6,10-trioxa-13-azatricyclo[7.3.1.05,13]tridecane?
The IUPAC name of 4,4,8,8,12,12-hexamethyl-2,6,10-trioxa-13-azatricyclo[7.3.1.05,13]tridecane (CID 11821655) is 4,4,8,8,12,12-hexamethyl-2,6,10-trioxa-13-azatricyclo[7.3.1.05,13]tridecane.
What is the SMILES notation for 4,4,8,8,12,12-hexamethyl-2,6,10-trioxa-13-azatricyclo[7.3.1.05,13]tridecane?
The canonical SMILES for 4,4,8,8,12,12-hexamethyl-2,6,10-trioxa-13-azatricyclo[7.3.1.05,13]tridecane is CC1(C)COC2N3C1OCC(C)(C)C3OCC2(C)C.
What is the InChIKey of 4,4,8,8,12,12-hexamethyl-2,6,10-trioxa-13-azatricyclo[7.3.1.05,13]tridecane?
The InChIKey is MVAXQWVKSZYACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-13(2)7-17-11-15(5,6)9-19-12-14(3,4)8-18-10(13)16(11)12/h10-12H,7-9H2,1-6H3.
What are the key properties of 4,4,8,8,12,12-hexamethyl-2,6,10-trioxa-13-azatricyclo[7.3.1.05,13]tridecane?
4,4,8,8,12,12-hexamethyl-2,6,10-trioxa-13-azatricyclo[7.3.1.05,13]tridecane has a molecular weight of 269.38 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,8,8,12,12-hexamethyl-2,6,10-trioxa-13-azatricyclo[7.3.1.05,13]tridecane is sourced from PubChem (CID 11821655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).