1-ethoxy-6-methoxyhexane

C9H20O2 — CID 54106149

IUPAC1-ethoxy-6-methoxyhexane
SMILESCCOCCCCCCOC
InChIInChI=1S/C9H20O2/c1-3-11-9-7-5-4-6-8-10-2/h3-9H2,1-2H3
InChIKeyXCVYQBVTYMVYQG-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.23
Rot. Bonds8

About 1-ethoxy-6-methoxyhexane

1-ethoxy-6-methoxyhexane (PubChem CID 54106149) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-ethoxy-6-methoxyhexane.

Molecular Properties

Compound Name1-ethoxy-6-methoxyhexane
PubChem CID54106149
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name1-ethoxy-6-methoxyhexane
SMILESCCOCCCCCCOC
InChIInChI=1S/C9H20O2/c1-3-11-9-7-5-4-6-8-10-2/h3-9H2,1-2H3
InChIKeyXCVYQBVTYMVYQG-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.23
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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Related Compounds

Hexyl methyl ether
CID 78484
Pentyl ether
CID 12743
Ethyl hexyl ether
CID 111843
Heptane, 1,1'-oxybis-
CID 12392
Dihexyl ether
CID 8198
Hexane, 1-(pentyloxy)-
CID 36108
Butyl hexyl ether
CID 108598
Heptane, 1-ethoxy-
CID 519677
1,6-Dimethoxyhexane
CID 542359
1-Ethoxyoctane
CID 94664
1-Ethoxydodecane
CID 96386
Decyl ethyl ether
CID 109644

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-6-methoxyhexane?
The IUPAC name of 1-ethoxy-6-methoxyhexane (CID 54106149) is 1-ethoxy-6-methoxyhexane.
What is the SMILES notation for 1-ethoxy-6-methoxyhexane?
The canonical SMILES for 1-ethoxy-6-methoxyhexane is CCOCCCCCCOC.
What is the InChIKey of 1-ethoxy-6-methoxyhexane?
The InChIKey is XCVYQBVTYMVYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-3-11-9-7-5-4-6-8-10-2/h3-9H2,1-2H3.
What are the key properties of 1-ethoxy-6-methoxyhexane?
1-ethoxy-6-methoxyhexane has a molecular weight of 160.26 g/mol, XLogP of 2.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-6-methoxyhexane is sourced from PubChem (CID 54106149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).