1,2-dimethoxy-3-methylbutane

C7H16O2 — CID 18398346

IUPAC1,2-dimethoxy-3-methylbutane
SMILESCOCC(OC)C(C)C
InChIInChI=1S/C7H16O2/c1-6(2)7(9-4)5-8-3/h6-7H,5H2,1-4H3
InChIKeyLHIBIQXHRIUOKR-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.30
Rot. Bonds4

About 1,2-dimethoxy-3-methylbutane

1,2-dimethoxy-3-methylbutane (PubChem CID 18398346) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 1,2-dimethoxy-3-methylbutane.

Molecular Properties

Compound Name1,2-dimethoxy-3-methylbutane
PubChem CID18398346
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name1,2-dimethoxy-3-methylbutane
SMILESCOCC(OC)C(C)C
InChIInChI=1S/C7H16O2/c1-6(2)7(9-4)5-8-3/h6-7H,5H2,1-4H3
InChIKeyLHIBIQXHRIUOKR-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-3-methylbutane?
The IUPAC name of 1,2-dimethoxy-3-methylbutane (CID 18398346) is 1,2-dimethoxy-3-methylbutane.
What is the SMILES notation for 1,2-dimethoxy-3-methylbutane?
The canonical SMILES for 1,2-dimethoxy-3-methylbutane is COCC(OC)C(C)C.
What is the InChIKey of 1,2-dimethoxy-3-methylbutane?
The InChIKey is LHIBIQXHRIUOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-6(2)7(9-4)5-8-3/h6-7H,5H2,1-4H3.
What are the key properties of 1,2-dimethoxy-3-methylbutane?
1,2-dimethoxy-3-methylbutane has a molecular weight of 132.20 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-3-methylbutane is sourced from PubChem (CID 18398346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).