1-(2,2-dimethyloxan-4-yl)ethanone

C9H16O2 — CID 3749982

IUPAC1-(2,2-dimethyloxan-4-yl)ethanone
SMILESCC(=O)C1CCOC(C)(C)C1
InChIInChI=1S/C9H16O2/c1-7(10)8-4-5-11-9(2,3)6-8/h8H,4-6H2,1-3H3
InChIKeyUQZNRIZOPPJPQT-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.78
Rot. Bonds1

About 1-(2,2-dimethyloxan-4-yl)ethanone

1-(2,2-dimethyloxan-4-yl)ethanone (PubChem CID 3749982) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-(2,2-dimethyloxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,2-dimethyloxan-4-yl)ethanone
PubChem CID3749982
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-(2,2-dimethyloxan-4-yl)ethanone
SMILESCC(=O)C1CCOC(C)(C)C1
InChIInChI=1S/C9H16O2/c1-7(10)8-4-5-11-9(2,3)6-8/h8H,4-6H2,1-3H3
InChIKeyUQZNRIZOPPJPQT-UHFFFAOYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyloxan-4-yl)ethanone?
The IUPAC name of 1-(2,2-dimethyloxan-4-yl)ethanone (CID 3749982) is 1-(2,2-dimethyloxan-4-yl)ethanone.
What is the SMILES notation for 1-(2,2-dimethyloxan-4-yl)ethanone?
The canonical SMILES for 1-(2,2-dimethyloxan-4-yl)ethanone is CC(=O)C1CCOC(C)(C)C1.
What is the InChIKey of 1-(2,2-dimethyloxan-4-yl)ethanone?
The InChIKey is UQZNRIZOPPJPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(10)8-4-5-11-9(2,3)6-8/h8H,4-6H2,1-3H3.
What are the key properties of 1-(2,2-dimethyloxan-4-yl)ethanone?
1-(2,2-dimethyloxan-4-yl)ethanone has a molecular weight of 156.22 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyloxan-4-yl)ethanone is sourced from PubChem (CID 3749982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).