3-methyl-3-(2-methylbutan-2-yl)oxane

C11H22O — CID 144692005

IUPAC3-methyl-3-(2-methylbutan-2-yl)oxane
SMILESCCC(C)(C)C1(C)CCCOC1
InChIInChI=1S/C11H22O/c1-5-10(2,3)11(4)7-6-8-12-9-11/h5-9H2,1-4H3
InChIKeyFCDYCDKWZCYYOY-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.24
Rot. Bonds2

About 3-methyl-3-(2-methylbutan-2-yl)oxane

3-methyl-3-(2-methylbutan-2-yl)oxane (PubChem CID 144692005) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-methyl-3-(2-methylbutan-2-yl)oxane.

Molecular Properties

Compound Name3-methyl-3-(2-methylbutan-2-yl)oxane
PubChem CID144692005
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name3-methyl-3-(2-methylbutan-2-yl)oxane
SMILESCCC(C)(C)C1(C)CCCOC1
InChIInChI=1S/C11H22O/c1-5-10(2,3)11(4)7-6-8-12-9-11/h5-9H2,1-4H3
InChIKeyFCDYCDKWZCYYOY-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-methylbutan-2-yl)oxane?
The IUPAC name of 3-methyl-3-(2-methylbutan-2-yl)oxane (CID 144692005) is 3-methyl-3-(2-methylbutan-2-yl)oxane.
What is the SMILES notation for 3-methyl-3-(2-methylbutan-2-yl)oxane?
The canonical SMILES for 3-methyl-3-(2-methylbutan-2-yl)oxane is CCC(C)(C)C1(C)CCCOC1.
What is the InChIKey of 3-methyl-3-(2-methylbutan-2-yl)oxane?
The InChIKey is FCDYCDKWZCYYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-5-10(2,3)11(4)7-6-8-12-9-11/h5-9H2,1-4H3.
What are the key properties of 3-methyl-3-(2-methylbutan-2-yl)oxane?
3-methyl-3-(2-methylbutan-2-yl)oxane has a molecular weight of 170.30 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-methylbutan-2-yl)oxane is sourced from PubChem (CID 144692005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).