2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,4-dioxane

C10H20O3 — CID 171454067

IUPAC2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,4-dioxane
SMILESCC(C)(C)OCC1(C)COCCO1
InChIInChI=1S/C10H20O3/c1-9(2,3)13-8-10(4)7-11-5-6-12-10/h5-8H2,1-4H3
InChIKeyFCWSWXXLZJNOTE-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.61
Rot. Bonds2

About 2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,4-dioxane

2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,4-dioxane (PubChem CID 171454067) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,4-dioxane.

Molecular Properties

Compound Name2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,4-dioxane
PubChem CID171454067
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,4-dioxane
SMILESCC(C)(C)OCC1(C)COCCO1
InChIInChI=1S/C10H20O3/c1-9(2,3)13-8-10(4)7-11-5-6-12-10/h5-8H2,1-4H3
InChIKeyFCWSWXXLZJNOTE-UHFFFAOYSA-N
XLogP1.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,4-dioxane?
The IUPAC name of 2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,4-dioxane (CID 171454067) is 2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,4-dioxane.
What is the SMILES notation for 2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,4-dioxane?
The canonical SMILES for 2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,4-dioxane is CC(C)(C)OCC1(C)COCCO1.
What is the InChIKey of 2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,4-dioxane?
The InChIKey is FCWSWXXLZJNOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-9(2,3)13-8-10(4)7-11-5-6-12-10/h5-8H2,1-4H3.
What are the key properties of 2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,4-dioxane?
2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,4-dioxane has a molecular weight of 188.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,4-dioxane is sourced from PubChem (CID 171454067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).