1-(2,2-dimethylpropoxy)propan-2-one

C8H16O2 — CID 12778578

IUPAC1-(2,2-dimethylpropoxy)propan-2-one
SMILESCC(=O)COCC(C)(C)C
InChIInChI=1S/C8H16O2/c1-7(9)5-10-6-8(2,3)4/h5-6H2,1-4H3
InChIKeyRRRFOYATTJJXLG-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.64
Rot. Bonds3

About 1-(2,2-dimethylpropoxy)propan-2-one

1-(2,2-dimethylpropoxy)propan-2-one (PubChem CID 12778578) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-(2,2-dimethylpropoxy)propan-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropoxy)propan-2-one
PubChem CID12778578
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1-(2,2-dimethylpropoxy)propan-2-one
SMILESCC(=O)COCC(C)(C)C
InChIInChI=1S/C8H16O2/c1-7(9)5-10-6-8(2,3)4/h5-6H2,1-4H3
InChIKeyRRRFOYATTJJXLG-UHFFFAOYSA-N
XLogP1.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropoxy)propan-2-one?
The IUPAC name of 1-(2,2-dimethylpropoxy)propan-2-one (CID 12778578) is 1-(2,2-dimethylpropoxy)propan-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropoxy)propan-2-one?
The canonical SMILES for 1-(2,2-dimethylpropoxy)propan-2-one is CC(=O)COCC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropoxy)propan-2-one?
The InChIKey is RRRFOYATTJJXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-7(9)5-10-6-8(2,3)4/h5-6H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropoxy)propan-2-one?
1-(2,2-dimethylpropoxy)propan-2-one has a molecular weight of 144.21 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropoxy)propan-2-one is sourced from PubChem (CID 12778578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).