1,6-dimethoxy-3-methylhexane

C9H20O2 — CID 20641232

IUPAC1,6-dimethoxy-3-methylhexane
SMILESCOCCCC(C)CCOC
InChIInChI=1S/C9H20O2/c1-9(6-8-11-3)5-4-7-10-2/h9H,4-8H2,1-3H3
InChIKeyHORYQXVHPLPDBD-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.09
Rot. Bonds7

About 1,6-dimethoxy-3-methylhexane

1,6-dimethoxy-3-methylhexane (PubChem CID 20641232) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1,6-dimethoxy-3-methylhexane.

Molecular Properties

Compound Name1,6-dimethoxy-3-methylhexane
PubChem CID20641232
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name1,6-dimethoxy-3-methylhexane
SMILESCOCCCC(C)CCOC
InChIInChI=1S/C9H20O2/c1-9(6-8-11-3)5-4-7-10-2/h9H,4-8H2,1-3H3
InChIKeyHORYQXVHPLPDBD-UHFFFAOYSA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.09
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-dimethoxy-3-methylhexane?
The IUPAC name of 1,6-dimethoxy-3-methylhexane (CID 20641232) is 1,6-dimethoxy-3-methylhexane.
What is the SMILES notation for 1,6-dimethoxy-3-methylhexane?
The canonical SMILES for 1,6-dimethoxy-3-methylhexane is COCCCC(C)CCOC.
What is the InChIKey of 1,6-dimethoxy-3-methylhexane?
The InChIKey is HORYQXVHPLPDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-9(6-8-11-3)5-4-7-10-2/h9H,4-8H2,1-3H3.
What are the key properties of 1,6-dimethoxy-3-methylhexane?
1,6-dimethoxy-3-methylhexane has a molecular weight of 160.26 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethoxy-3-methylhexane is sourced from PubChem (CID 20641232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).