3,4-dimethoxyhexane

C8H18O2 — CID 22959873

IUPAC3,4-dimethoxyhexane
SMILESCCC(OC)C(CC)OC
InChIInChI=1S/C8H18O2/c1-5-7(9-3)8(6-2)10-4/h7-8H,5-6H2,1-4H3
InChIKeyIIPUCUBRDHWANR-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.84
Rot. Bonds5

About 3,4-dimethoxyhexane

3,4-dimethoxyhexane (PubChem CID 22959873) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 3,4-dimethoxyhexane.

Molecular Properties

Compound Name3,4-dimethoxyhexane
PubChem CID22959873
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name3,4-dimethoxyhexane
SMILESCCC(OC)C(CC)OC
InChIInChI=1S/C8H18O2/c1-5-7(9-3)8(6-2)10-4/h7-8H,5-6H2,1-4H3
InChIKeyIIPUCUBRDHWANR-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxyhexane?
The IUPAC name of 3,4-dimethoxyhexane (CID 22959873) is 3,4-dimethoxyhexane.
What is the SMILES notation for 3,4-dimethoxyhexane?
The canonical SMILES for 3,4-dimethoxyhexane is CCC(OC)C(CC)OC.
What is the InChIKey of 3,4-dimethoxyhexane?
The InChIKey is IIPUCUBRDHWANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-5-7(9-3)8(6-2)10-4/h7-8H,5-6H2,1-4H3.
What are the key properties of 3,4-dimethoxyhexane?
3,4-dimethoxyhexane has a molecular weight of 146.23 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxyhexane is sourced from PubChem (CID 22959873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).