ethane-1,2-diol;methoxymethane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane

C12H30O4 — CID 22556407

IUPACethane-1,2-diol;methoxymethane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
SMILESCC(C)(C)OC(C)(C)C.COC.OCCO
InChIInChI=1S/C8H18O.C2H6O2.C2H6O/c1-7(2,3)9-8(4,5)6;3-1-2-4;1-3-2/h1-6H3;3-4H,1-2H2;1-2H3
InChIKeyUBKKCIWQAUTUCM-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.83
Rot. Bonds1

About ethane-1,2-diol;methoxymethane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane

ethane-1,2-diol;methoxymethane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane (PubChem CID 22556407) has the molecular formula C12H30O4 and a molecular weight of 238.37 g/mol. Its IUPAC name is ethane-1,2-diol;methoxymethane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane.

Molecular Properties

Compound Nameethane-1,2-diol;methoxymethane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
PubChem CID22556407
Molecular FormulaC12H30O4
Molecular Weight238.37 g/mol
Exact Mass238.21
IUPAC Nameethane-1,2-diol;methoxymethane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
SMILESCC(C)(C)OC(C)(C)C.COC.OCCO
InChIInChI=1S/C8H18O.C2H6O2.C2H6O/c1-7(2,3)9-8(4,5)6;3-1-2-4;1-3-2/h1-6H3;3-4H,1-2H2;1-2H3
InChIKeyUBKKCIWQAUTUCM-UHFFFAOYSA-N
XLogP1.83
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;methoxymethane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
The IUPAC name of ethane-1,2-diol;methoxymethane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane (CID 22556407) is ethane-1,2-diol;methoxymethane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane.
What is the SMILES notation for ethane-1,2-diol;methoxymethane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
The canonical SMILES for ethane-1,2-diol;methoxymethane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane is CC(C)(C)OC(C)(C)C.COC.OCCO.
What is the InChIKey of ethane-1,2-diol;methoxymethane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
The InChIKey is UBKKCIWQAUTUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C2H6O2.C2H6O/c1-7(2,3)9-8(4,5)6;3-1-2-4;1-3-2/h1-6H3;3-4H,1-2H2;1-2H3.
What are the key properties of ethane-1,2-diol;methoxymethane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
ethane-1,2-diol;methoxymethane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane has a molecular weight of 238.37 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;methoxymethane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane is sourced from PubChem (CID 22556407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).