1,2,3,4,5,6-hexamethoxyhexane

C12H26O6 — CID 529421

IUPAC1,2,3,4,5,6-hexamethoxyhexane
SMILESCOCC(OC)C(OC)C(OC)C(COC)OC
InChIInChI=1S/C12H26O6/c1-13-7-9(15-3)11(17-5)12(18-6)10(16-4)8-14-2/h9-12H,7-8H2,1-6H3
InChIKeyUJQZVTQJKNAPOQ-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.34
Rot. Bonds11

About 1,2,3,4,5,6-hexamethoxyhexane

1,2,3,4,5,6-hexamethoxyhexane (PubChem CID 529421) has the molecular formula C12H26O6 and a molecular weight of 266.33 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexamethoxyhexane.

Molecular Properties

Compound Name1,2,3,4,5,6-hexamethoxyhexane
PubChem CID529421
Molecular FormulaC12H26O6
Molecular Weight266.33 g/mol
Exact Mass266.17
IUPAC Name1,2,3,4,5,6-hexamethoxyhexane
SMILESCOCC(OC)C(OC)C(OC)C(COC)OC
InChIInChI=1S/C12H26O6/c1-13-7-9(15-3)11(17-5)12(18-6)10(16-4)8-14-2/h9-12H,7-8H2,1-6H3
InChIKeyUJQZVTQJKNAPOQ-UHFFFAOYSA-N
XLogP0.34
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,2,3,4,5,6-hexamethoxyhexane 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 1,2,3,4,5,6-hexamethoxyhexane?
The IUPAC name of 1,2,3,4,5,6-hexamethoxyhexane (CID 529421) is 1,2,3,4,5,6-hexamethoxyhexane.
What is the SMILES notation for 1,2,3,4,5,6-hexamethoxyhexane?
The canonical SMILES for 1,2,3,4,5,6-hexamethoxyhexane is COCC(OC)C(OC)C(OC)C(COC)OC.
What is the InChIKey of 1,2,3,4,5,6-hexamethoxyhexane?
The InChIKey is UJQZVTQJKNAPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O6/c1-13-7-9(15-3)11(17-5)12(18-6)10(16-4)8-14-2/h9-12H,7-8H2,1-6H3.
What are the key properties of 1,2,3,4,5,6-hexamethoxyhexane?
1,2,3,4,5,6-hexamethoxyhexane has a molecular weight of 266.33 g/mol, XLogP of 0.34, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexamethoxyhexane is sourced from PubChem (CID 529421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).