1-[(2-methylpropan-2-yl)oxy]propan-2-one

C7H14O2 — CID 12778577

IUPAC1-[(2-methylpropan-2-yl)oxy]propan-2-one
SMILESCC(=O)COC(C)(C)C
InChIInChI=1S/C7H14O2/c1-6(8)5-9-7(2,3)4/h5H2,1-4H3
InChIKeyKKJVWCBWUAYCRX-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.39
Rot. Bonds2

About 1-[(2-methylpropan-2-yl)oxy]propan-2-one

1-[(2-methylpropan-2-yl)oxy]propan-2-one (PubChem CID 12778577) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]propan-2-one.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]propan-2-one
PubChem CID12778577
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name1-[(2-methylpropan-2-yl)oxy]propan-2-one
SMILESCC(=O)COC(C)(C)C
InChIInChI=1S/C7H14O2/c1-6(8)5-9-7(2,3)4/h5H2,1-4H3
InChIKeyKKJVWCBWUAYCRX-UHFFFAOYSA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]propan-2-one?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]propan-2-one (CID 12778577) is 1-[(2-methylpropan-2-yl)oxy]propan-2-one.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]propan-2-one?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]propan-2-one is CC(=O)COC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]propan-2-one?
The InChIKey is KKJVWCBWUAYCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-6(8)5-9-7(2,3)4/h5H2,1-4H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]propan-2-one?
1-[(2-methylpropan-2-yl)oxy]propan-2-one has a molecular weight of 130.19 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]propan-2-one is sourced from PubChem (CID 12778577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).