2,3-dimethoxy-5-methylhexane

C9H20O2 — CID 18667897

IUPAC2,3-dimethoxy-5-methylhexane
SMILESCOC(C)C(CC(C)C)OC
InChIInChI=1S/C9H20O2/c1-7(2)6-9(11-5)8(3)10-4/h7-9H,6H2,1-5H3
InChIKeyGQSMOMOLIWAYIT-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.08
Rot. Bonds5

About 2,3-dimethoxy-5-methylhexane

2,3-dimethoxy-5-methylhexane (PubChem CID 18667897) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 2,3-dimethoxy-5-methylhexane.

Molecular Properties

Compound Name2,3-dimethoxy-5-methylhexane
PubChem CID18667897
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name2,3-dimethoxy-5-methylhexane
SMILESCOC(C)C(CC(C)C)OC
InChIInChI=1S/C9H20O2/c1-7(2)6-9(11-5)8(3)10-4/h7-9H,6H2,1-5H3
InChIKeyGQSMOMOLIWAYIT-UHFFFAOYSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-methylhexane?
The IUPAC name of 2,3-dimethoxy-5-methylhexane (CID 18667897) is 2,3-dimethoxy-5-methylhexane.
What is the SMILES notation for 2,3-dimethoxy-5-methylhexane?
The canonical SMILES for 2,3-dimethoxy-5-methylhexane is COC(C)C(CC(C)C)OC.
What is the InChIKey of 2,3-dimethoxy-5-methylhexane?
The InChIKey is GQSMOMOLIWAYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-7(2)6-9(11-5)8(3)10-4/h7-9H,6H2,1-5H3.
What are the key properties of 2,3-dimethoxy-5-methylhexane?
2,3-dimethoxy-5-methylhexane has a molecular weight of 160.26 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-methylhexane is sourced from PubChem (CID 18667897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).