1-methoxy-2-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxymethyl]butane

C12H26O3 — CID 86682667

IUPAC1-methoxy-2-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxymethyl]butane
SMILESCCC(COC)(COC)COC(C)(C)C
InChIInChI=1S/C12H26O3/c1-7-12(8-13-5,9-14-6)10-15-11(2,3)4/h7-10H2,1-6H3
InChIKeyBJAVOEYDTBXWGY-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.49
Rot. Bonds7

About 1-methoxy-2-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxymethyl]butane

1-methoxy-2-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxymethyl]butane (PubChem CID 86682667) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-methoxy-2-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxymethyl]butane.

Molecular Properties

Compound Name1-methoxy-2-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxymethyl]butane
PubChem CID86682667
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name1-methoxy-2-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxymethyl]butane
SMILESCCC(COC)(COC)COC(C)(C)C
InChIInChI=1S/C12H26O3/c1-7-12(8-13-5,9-14-6)10-15-11(2,3)4/h7-10H2,1-6H3
InChIKeyBJAVOEYDTBXWGY-UHFFFAOYSA-N
XLogP2.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxymethyl]butane?
The IUPAC name of 1-methoxy-2-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxymethyl]butane (CID 86682667) is 1-methoxy-2-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxymethyl]butane.
What is the SMILES notation for 1-methoxy-2-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxymethyl]butane?
The canonical SMILES for 1-methoxy-2-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxymethyl]butane is CCC(COC)(COC)COC(C)(C)C.
What is the InChIKey of 1-methoxy-2-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxymethyl]butane?
The InChIKey is BJAVOEYDTBXWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-7-12(8-13-5,9-14-6)10-15-11(2,3)4/h7-10H2,1-6H3.
What are the key properties of 1-methoxy-2-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxymethyl]butane?
1-methoxy-2-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxymethyl]butane has a molecular weight of 218.34 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxymethyl]butane is sourced from PubChem (CID 86682667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).