3-[(2-methylpropan-2-yl)oxy]oxolane

C8H16O2 — CID 20706589

IUPAC3-[(2-methylpropan-2-yl)oxy]oxolane
SMILESCC(C)(C)OC1CCOC1
InChIInChI=1S/C8H16O2/c1-8(2,3)10-7-4-5-9-6-7/h7H,4-6H2,1-3H3
InChIKeyOIHFSDAHMZQGTG-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.59
Rot. Bonds1

About 3-[(2-methylpropan-2-yl)oxy]oxolane

3-[(2-methylpropan-2-yl)oxy]oxolane (PubChem CID 20706589) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]oxolane.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]oxolane
PubChem CID20706589
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-[(2-methylpropan-2-yl)oxy]oxolane
SMILESCC(C)(C)OC1CCOC1
InChIInChI=1S/C8H16O2/c1-8(2,3)10-7-4-5-9-6-7/h7H,4-6H2,1-3H3
InChIKeyOIHFSDAHMZQGTG-UHFFFAOYSA-N
XLogP1.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]oxolane?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]oxolane (CID 20706589) is 3-[(2-methylpropan-2-yl)oxy]oxolane.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]oxolane?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]oxolane is CC(C)(C)OC1CCOC1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]oxolane?
The InChIKey is OIHFSDAHMZQGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-8(2,3)10-7-4-5-9-6-7/h7H,4-6H2,1-3H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]oxolane?
3-[(2-methylpropan-2-yl)oxy]oxolane has a molecular weight of 144.21 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]oxolane is sourced from PubChem (CID 20706589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).