2-[2-(ethoxymethyl)-3-methoxypropoxy]-2-methylbutane

C12H26O3 — CID 123711604

IUPAC2-[2-(ethoxymethyl)-3-methoxypropoxy]-2-methylbutane
SMILESCCOCC(COC)COC(C)(C)CC
InChIInChI=1S/C12H26O3/c1-6-12(3,4)15-10-11(8-13-5)9-14-7-2/h11H,6-10H2,1-5H3
InChIKeyXXQKLYSLHYLKMF-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.49
Rot. Bonds9

About 2-[2-(ethoxymethyl)-3-methoxypropoxy]-2-methylbutane

2-[2-(ethoxymethyl)-3-methoxypropoxy]-2-methylbutane (PubChem CID 123711604) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[2-(ethoxymethyl)-3-methoxypropoxy]-2-methylbutane.

Molecular Properties

Compound Name2-[2-(ethoxymethyl)-3-methoxypropoxy]-2-methylbutane
PubChem CID123711604
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name2-[2-(ethoxymethyl)-3-methoxypropoxy]-2-methylbutane
SMILESCCOCC(COC)COC(C)(C)CC
InChIInChI=1S/C12H26O3/c1-6-12(3,4)15-10-11(8-13-5)9-14-7-2/h11H,6-10H2,1-5H3
InChIKeyXXQKLYSLHYLKMF-UHFFFAOYSA-N
XLogP2.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxy-2-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxy]propane
CID 89011685
1-methoxy-N-methyl-3-(2-methylbutan-2-yloxy)propan-2-amine
CID 107506722
1-bromo-2-(2-methylbutan-2-yloxymethyl)butane
CID 64994805
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbutane
CID 89483999
methane;1-[3-methoxy-2-(methoxymethyl)propoxy]-2-[[3-methoxy-2-(methoxymethyl)propoxy]methyl]-4,4-dimethylpentane
CID 157491950
2-methyl-1-(2-methylbutan-2-yloxy)-3-phosphanylpentan-3-ol
CID 87078256
3-methoxy-2-(2-methylbutan-2-yloxy)propanoic acid
CID 103224006
1-methoxy-2-(methoxymethyl)butane
CID 23295181
2-methyl-3-(2-methylbutan-2-yloxy)propanoic acid
CID 43537979
1,10-bis(2-methylbutan-2-yloxy)decane
CID 171725385
1,3-dimethoxy-2,2-bis(methoxymethyl)propane;1,3-dimethoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)propane;1,3-dimethoxy-2-(methoxymethyl)propane
CID 158311699
2-methyl-2-(2-propoxyethoxy)butane
CID 174670155

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethoxymethyl)-3-methoxypropoxy]-2-methylbutane?
The IUPAC name of 2-[2-(ethoxymethyl)-3-methoxypropoxy]-2-methylbutane (CID 123711604) is 2-[2-(ethoxymethyl)-3-methoxypropoxy]-2-methylbutane.
What is the SMILES notation for 2-[2-(ethoxymethyl)-3-methoxypropoxy]-2-methylbutane?
The canonical SMILES for 2-[2-(ethoxymethyl)-3-methoxypropoxy]-2-methylbutane is CCOCC(COC)COC(C)(C)CC.
What is the InChIKey of 2-[2-(ethoxymethyl)-3-methoxypropoxy]-2-methylbutane?
The InChIKey is XXQKLYSLHYLKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-6-12(3,4)15-10-11(8-13-5)9-14-7-2/h11H,6-10H2,1-5H3.
What are the key properties of 2-[2-(ethoxymethyl)-3-methoxypropoxy]-2-methylbutane?
2-[2-(ethoxymethyl)-3-methoxypropoxy]-2-methylbutane has a molecular weight of 218.34 g/mol, XLogP of 2.49, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethoxymethyl)-3-methoxypropoxy]-2-methylbutane is sourced from PubChem (CID 123711604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).