2-methyl-1-(oxan-4-yl)propan-1-one

C9H16O2 — CID 20635093

IUPAC2-methyl-1-(oxan-4-yl)propan-1-one
SMILESCC(C)C(=O)C1CCOCC1
InChIInChI=1S/C9H16O2/c1-7(2)9(10)8-3-5-11-6-4-8/h7-8H,3-6H2,1-2H3
InChIKeyQGEXGJOYBAWESD-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.64
Rot. Bonds2

About 2-methyl-1-(oxan-4-yl)propan-1-one

2-methyl-1-(oxan-4-yl)propan-1-one (PubChem CID 20635093) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-methyl-1-(oxan-4-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(oxan-4-yl)propan-1-one
PubChem CID20635093
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-methyl-1-(oxan-4-yl)propan-1-one
SMILESCC(C)C(=O)C1CCOCC1
InChIInChI=1S/C9H16O2/c1-7(2)9(10)8-3-5-11-6-4-8/h7-8H,3-6H2,1-2H3
InChIKeyQGEXGJOYBAWESD-UHFFFAOYSA-N
XLogP1.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(oxan-4-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(oxan-4-yl)propan-1-one (CID 20635093) is 2-methyl-1-(oxan-4-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(oxan-4-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(oxan-4-yl)propan-1-one is CC(C)C(=O)C1CCOCC1.
What is the InChIKey of 2-methyl-1-(oxan-4-yl)propan-1-one?
The InChIKey is QGEXGJOYBAWESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(2)9(10)8-3-5-11-6-4-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-methyl-1-(oxan-4-yl)propan-1-one?
2-methyl-1-(oxan-4-yl)propan-1-one has a molecular weight of 156.22 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxan-4-yl)propan-1-one is sourced from PubChem (CID 20635093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).