3-methoxyhexane-1,6-diol

C7H16O3 — CID 560608

IUPAC3-methoxyhexane-1,6-diol
SMILESCOC(CCO)CCCO
InChIInChI=1S/C7H16O3/c1-10-7(4-6-9)3-2-5-8/h7-9H,2-6H2,1H3
InChIKeyYSOPDBRLPXLQMU-UHFFFAOYSA-N
MW148.20 g/mol
LogP0.16
Rot. Bonds6

About 3-methoxyhexane-1,6-diol

3-methoxyhexane-1,6-diol (PubChem CID 560608) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 3-methoxyhexane-1,6-diol.

Molecular Properties

Compound Name3-methoxyhexane-1,6-diol
PubChem CID560608
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name3-methoxyhexane-1,6-diol
SMILESCOC(CCO)CCCO
InChIInChI=1S/C7H16O3/c1-10-7(4-6-9)3-2-5-8/h7-9H,2-6H2,1H3
InChIKeyYSOPDBRLPXLQMU-UHFFFAOYSA-N
XLogP0.16
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methoxyhexane-1,6-diol 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 3-methoxyhexane-1,6-diol?
The IUPAC name of 3-methoxyhexane-1,6-diol (CID 560608) is 3-methoxyhexane-1,6-diol.
What is the SMILES notation for 3-methoxyhexane-1,6-diol?
The canonical SMILES for 3-methoxyhexane-1,6-diol is COC(CCO)CCCO.
What is the InChIKey of 3-methoxyhexane-1,6-diol?
The InChIKey is YSOPDBRLPXLQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3/c1-10-7(4-6-9)3-2-5-8/h7-9H,2-6H2,1H3.
What are the key properties of 3-methoxyhexane-1,6-diol?
3-methoxyhexane-1,6-diol has a molecular weight of 148.20 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyhexane-1,6-diol is sourced from PubChem (CID 560608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).