1,2-dimethoxy-2-(methoxymethyl)butane

C8H18O3 — CID 20588963

IUPAC1,2-dimethoxy-2-(methoxymethyl)butane
SMILESCCC(COC)(COC)OC
InChIInChI=1S/C8H18O3/c1-5-8(11-4,6-9-2)7-10-3/h5-7H2,1-4H3
InChIKeyBWYIWMZLYBYJTA-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.07
Rot. Bonds6

About 1,2-dimethoxy-2-(methoxymethyl)butane

1,2-dimethoxy-2-(methoxymethyl)butane (PubChem CID 20588963) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 1,2-dimethoxy-2-(methoxymethyl)butane.

Molecular Properties

Compound Name1,2-dimethoxy-2-(methoxymethyl)butane
PubChem CID20588963
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name1,2-dimethoxy-2-(methoxymethyl)butane
SMILESCCC(COC)(COC)OC
InChIInChI=1S/C8H18O3/c1-5-8(11-4,6-9-2)7-10-3/h5-7H2,1-4H3
InChIKeyBWYIWMZLYBYJTA-UHFFFAOYSA-N
XLogP1.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-2-(methoxymethyl)butane?
The IUPAC name of 1,2-dimethoxy-2-(methoxymethyl)butane (CID 20588963) is 1,2-dimethoxy-2-(methoxymethyl)butane.
What is the SMILES notation for 1,2-dimethoxy-2-(methoxymethyl)butane?
The canonical SMILES for 1,2-dimethoxy-2-(methoxymethyl)butane is CCC(COC)(COC)OC.
What is the InChIKey of 1,2-dimethoxy-2-(methoxymethyl)butane?
The InChIKey is BWYIWMZLYBYJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-5-8(11-4,6-9-2)7-10-3/h5-7H2,1-4H3.
What are the key properties of 1,2-dimethoxy-2-(methoxymethyl)butane?
1,2-dimethoxy-2-(methoxymethyl)butane has a molecular weight of 162.23 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-2-(methoxymethyl)butane is sourced from PubChem (CID 20588963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).