2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanone

C10H18O3 — CID 104751821

IUPAC2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanone
SMILESCC(C)(C)OCC(=O)C1CCOC1
InChIInChI=1S/C10H18O3/c1-10(2,3)13-7-9(11)8-4-5-12-6-8/h8H,4-7H2,1-3H3
InChIKeyLNIBKEICZVWLAD-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.41
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanone

2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanone (PubChem CID 104751821) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanone
PubChem CID104751821
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanone
SMILESCC(C)(C)OCC(=O)C1CCOC1
InChIInChI=1S/C10H18O3/c1-10(2,3)13-7-9(11)8-4-5-12-6-8/h8H,4-7H2,1-3H3
InChIKeyLNIBKEICZVWLAD-UHFFFAOYSA-N
XLogP1.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanone (CID 104751821) is 2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanone is CC(C)(C)OCC(=O)C1CCOC1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanone?
The InChIKey is LNIBKEICZVWLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-10(2,3)13-7-9(11)8-4-5-12-6-8/h8H,4-7H2,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanone?
2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanone has a molecular weight of 186.25 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104751821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).