4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane

C13H26O3 — CID 58388656

IUPAC4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane
SMILESCC(C)(C)OCC1CC(OC(C)(C)C)CO1
InChIInChI=1S/C13H26O3/c1-12(2,3)15-9-10-7-11(8-14-10)16-13(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyWGYHBENNPAQSMY-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.77
Rot. Bonds3

About 4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane

4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane (PubChem CID 58388656) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane
PubChem CID58388656
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane
SMILESCC(C)(C)OCC1CC(OC(C)(C)C)CO1
InChIInChI=1S/C13H26O3/c1-12(2,3)15-9-10-7-11(8-14-10)16-13(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyWGYHBENNPAQSMY-UHFFFAOYSA-N
XLogP2.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane (CID 58388656) is 4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane is CC(C)(C)OCC1CC(OC(C)(C)C)CO1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane?
The InChIKey is WGYHBENNPAQSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-12(2,3)15-9-10-7-11(8-14-10)16-13(4,5)6/h10-11H,7-9H2,1-6H3.
What are the key properties of 4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane?
4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane has a molecular weight of 230.35 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane is sourced from PubChem (CID 58388656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).