1-methoxy-2-(methoxymethyl)butane

C7H16O2 — CID 23295181

IUPAC1-methoxy-2-(methoxymethyl)butane
SMILESCCC(COC)COC
InChIInChI=1S/C7H16O2/c1-4-7(5-8-2)6-9-3/h7H,4-6H2,1-3H3
InChIKeyHTXYROOBYCRORA-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.31
Rot. Bonds5

About 1-methoxy-2-(methoxymethyl)butane

1-methoxy-2-(methoxymethyl)butane (PubChem CID 23295181) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 1-methoxy-2-(methoxymethyl)butane.

Molecular Properties

Compound Name1-methoxy-2-(methoxymethyl)butane
PubChem CID23295181
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name1-methoxy-2-(methoxymethyl)butane
SMILESCCC(COC)COC
InChIInChI=1S/C7H16O2/c1-4-7(5-8-2)6-9-3/h7H,4-6H2,1-3H3
InChIKeyHTXYROOBYCRORA-UHFFFAOYSA-N
XLogP1.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-methoxy-2-(methoxymethyl)hexane
CID 174960180
3,4-bis(methoxymethyl)hexane
CID 142709823
aminomethyl 2-(methoxymethyl)butyl methyl phosphate
CID 54539586
[methoxy-[2-(methoxymethyl)butoxy]phosphoryl]oxymethylazanium
CID 54539585
ethane;4-(methoxymethyl)heptane;propane
CID 168880885
7-(methoxymethyl)nonan-4-one
CID 123531318
4-(bromomethyl)-1,2-dimethoxyhexane
CID 165442725
(2S)-2-fluoro-1-methoxybutane
CID 149174257
methane;1-methoxy-2-methylbutane
CID 159281556
3-methoxy-2-(methoxymethyl)propan-1-amine;hydrochloride
CID 154577691
19-(methoxymethyl)heptatriacontane
CID 59499210
2-ethyl-4-methoxybutan-1-ol
CID 66058779

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(methoxymethyl)butane?
The IUPAC name of 1-methoxy-2-(methoxymethyl)butane (CID 23295181) is 1-methoxy-2-(methoxymethyl)butane.
What is the SMILES notation for 1-methoxy-2-(methoxymethyl)butane?
The canonical SMILES for 1-methoxy-2-(methoxymethyl)butane is CCC(COC)COC.
What is the InChIKey of 1-methoxy-2-(methoxymethyl)butane?
The InChIKey is HTXYROOBYCRORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-4-7(5-8-2)6-9-3/h7H,4-6H2,1-3H3.
What are the key properties of 1-methoxy-2-(methoxymethyl)butane?
1-methoxy-2-(methoxymethyl)butane has a molecular weight of 132.20 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(methoxymethyl)butane is sourced from PubChem (CID 23295181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).