2-[(2-methylpropan-2-yl)oxy]oxane

C9H18O2 — CID 545247

IUPAC2-[(2-methylpropan-2-yl)oxy]oxane
SMILESCC(C)(C)OC1CCCCO1
InChIInChI=1S/C9H18O2/c1-9(2,3)11-8-6-4-5-7-10-8/h8H,4-7H2,1-3H3
InChIKeyAYAWLXGRAAEWED-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.33
Rot. Bonds1

About 2-[(2-methylpropan-2-yl)oxy]oxane

2-[(2-methylpropan-2-yl)oxy]oxane (PubChem CID 545247) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]oxane.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]oxane
PubChem CID545247
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-[(2-methylpropan-2-yl)oxy]oxane
SMILESCC(C)(C)OC1CCCCO1
InChIInChI=1S/C9H18O2/c1-9(2,3)11-8-6-4-5-7-10-8/h8H,4-7H2,1-3H3
InChIKeyAYAWLXGRAAEWED-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]oxane?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]oxane (CID 545247) is 2-[(2-methylpropan-2-yl)oxy]oxane.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]oxane?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]oxane is CC(C)(C)OC1CCCCO1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]oxane?
The InChIKey is AYAWLXGRAAEWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-9(2,3)11-8-6-4-5-7-10-8/h8H,4-7H2,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]oxane?
2-[(2-methylpropan-2-yl)oxy]oxane has a molecular weight of 158.24 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]oxane is sourced from PubChem (CID 545247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).