3-(2-methoxypropoxy)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane

C13H28O3 — CID 121440686

IUPAC3-(2-methoxypropoxy)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane
SMILESCOC(C)COC(C)(C)CCOC(C)(C)C
InChIInChI=1S/C13H28O3/c1-11(14-7)10-16-13(5,6)8-9-15-12(2,3)4/h11H,8-10H2,1-7H3
InChIKeyMWXJFJGYXXKGLA-UHFFFAOYSA-N
MW232.36 g/mol
LogP3.02
Rot. Bonds7

About 3-(2-methoxypropoxy)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane

3-(2-methoxypropoxy)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane (PubChem CID 121440686) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is 3-(2-methoxypropoxy)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane.

Molecular Properties

Compound Name3-(2-methoxypropoxy)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane
PubChem CID121440686
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name3-(2-methoxypropoxy)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane
SMILESCOC(C)COC(C)(C)CCOC(C)(C)C
InChIInChI=1S/C13H28O3/c1-11(14-7)10-16-13(5,6)8-9-15-12(2,3)4/h11H,8-10H2,1-7H3
InChIKeyMWXJFJGYXXKGLA-UHFFFAOYSA-N
XLogP3.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypropoxy)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane?
The IUPAC name of 3-(2-methoxypropoxy)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane (CID 121440686) is 3-(2-methoxypropoxy)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane.
What is the SMILES notation for 3-(2-methoxypropoxy)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane?
The canonical SMILES for 3-(2-methoxypropoxy)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane is COC(C)COC(C)(C)CCOC(C)(C)C.
What is the InChIKey of 3-(2-methoxypropoxy)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane?
The InChIKey is MWXJFJGYXXKGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3/c1-11(14-7)10-16-13(5,6)8-9-15-12(2,3)4/h11H,8-10H2,1-7H3.
What are the key properties of 3-(2-methoxypropoxy)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane?
3-(2-methoxypropoxy)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane has a molecular weight of 232.36 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypropoxy)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane is sourced from PubChem (CID 121440686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).