1,3-Dimethoxy-3-methylbutane

C7H16O2 — CID 552136

IUPAC1,3-dimethoxy-3-methylbutane
SMILESCC(C)(CCOC)OC
InChIInChI=1S/C7H16O2/c1-7(2,9-4)5-6-8-3/h5-6H2,1-4H3
InChIKeyQFZHLUALUIUUDW-UHFFFAOYSA-N
MW132.20 g/mol
LogP0.90
Rot. Bonds4

About 1,3-Dimethoxy-3-methylbutane

1,3-Dimethoxy-3-methylbutane (PubChem CID 552136) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 1,3-dimethoxy-3-methylbutane.

Molecular Properties

Compound Name1,3-Dimethoxy-3-methylbutane
PubChem CID552136
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name1,3-dimethoxy-3-methylbutane
SMILESCC(C)(CCOC)OC
InChIInChI=1S/C7H16O2/c1-7(2,9-4)5-6-8-3/h5-6H2,1-4H3
InChIKeyQFZHLUALUIUUDW-UHFFFAOYSA-N
XLogP0.90
TPSA18.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity69

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-Dimethoxy-3-methylbutane?
The IUPAC name of 1,3-Dimethoxy-3-methylbutane (CID 552136) is 1,3-dimethoxy-3-methylbutane.
What is the SMILES notation for 1,3-Dimethoxy-3-methylbutane?
The canonical SMILES for 1,3-Dimethoxy-3-methylbutane is CC(C)(CCOC)OC.
What is the InChIKey of 1,3-Dimethoxy-3-methylbutane?
The InChIKey is QFZHLUALUIUUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-7(2,9-4)5-6-8-3/h5-6H2,1-4H3.
What are the key properties of 1,3-Dimethoxy-3-methylbutane?
1,3-Dimethoxy-3-methylbutane has a molecular weight of 132.20 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-Dimethoxy-3-methylbutane is sourced from PubChem (CID 552136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).