1,3-dimethoxy-3-methylbutane

C7H16O2 — CID 552136

IUPAC1,3-dimethoxy-3-methylbutane
SMILESCOCCC(C)(C)OC
InChIInChI=1S/C7H16O2/c1-7(2,9-4)5-6-8-3/h5-6H2,1-4H3
InChIKeyQFZHLUALUIUUDW-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.45
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
SMILESCOCCC(C)(C)OC
InChIInChI=1S/C7H16O2/c1-7(2,9-4)5-6-8-3/h5-6H2,1-4H3
InChIKeyQFZHLUALUIUUDW-UHFFFAOYSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Fluoropropan-2-yloxy)-3-methoxy-3-methylbutane
CID 121265020
1-Methoxy-1,1-dimethyl-3-propoxypropane
CID 44602848
3-Methoxy-3-methyl-1-(2-methylpropoxy)butane
CID 44602849
3-Methoxy-3-methyl-1-(3-methylbutoxy)butane
CID 44602850
1-Methoxy-3-(3-methoxy-3-methylbutoxy)-1,1-dimethylpropane
CID 87271082
3-Hydroperoxy-1-methoxy-3-methylbutane
CID 134882741
1-(1-Fluoroethoxy)-3-methoxy-3-methylbutane
CID 145215098
1,3-Dimethoxy-2,3-dimethylbutane
CID 552148
1,3-Diethoxy-3-methylbutane
CID 18667890
2,4-Dimethoxy-2-methylpentane
CID 19080490
1,2-Dimethoxy-2-(methoxymethyl)butane
CID 20588963
1-Methoxybutane;2-methoxy-2-methylpropane
CID 21639268

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 COCCC(C)(C)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 1.45, 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).