1,6-dimethoxyhexane

C8H18O2 — CID 542359

IUPAC1,6-dimethoxyhexane
SMILESCOCCCCCCOC
InChIInChI=1S/C8H18O2/c1-9-7-5-3-4-6-8-10-2/h3-8H2,1-2H3
InChIKeyGZHQUHIMIVEQFV-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.84
Rot. Bonds7

About 1,6-dimethoxyhexane

1,6-dimethoxyhexane (PubChem CID 542359) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 1,6-dimethoxyhexane.

Molecular Properties

Compound Name1,6-dimethoxyhexane
PubChem CID542359
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name1,6-dimethoxyhexane
SMILESCOCCCCCCOC
InChIInChI=1S/C8H18O2/c1-9-7-5-3-4-6-8-10-2/h3-8H2,1-2H3
InChIKeyGZHQUHIMIVEQFV-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethoxyhexane?
The IUPAC name of 1,6-dimethoxyhexane (CID 542359) is 1,6-dimethoxyhexane.
What is the SMILES notation for 1,6-dimethoxyhexane?
The canonical SMILES for 1,6-dimethoxyhexane is COCCCCCCOC.
What is the InChIKey of 1,6-dimethoxyhexane?
The InChIKey is GZHQUHIMIVEQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-9-7-5-3-4-6-8-10-2/h3-8H2,1-2H3.
What are the key properties of 1,6-dimethoxyhexane?
1,6-dimethoxyhexane has a molecular weight of 146.23 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethoxyhexane is sourced from PubChem (CID 542359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).