8-methoxy-4,4-dimethyloctan-2-one

C11H22O2 — CID 21344820

IUPAC8-methoxy-4,4-dimethyloctan-2-one
SMILESCOCCCCC(C)(C)CC(C)=O
InChIInChI=1S/C11H22O2/c1-10(12)9-11(2,3)7-5-6-8-13-4/h5-9H2,1-4H3
InChIKeyREFKZBOFTZDMCW-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.81
Rot. Bonds7

About 8-methoxy-4,4-dimethyloctan-2-one

8-methoxy-4,4-dimethyloctan-2-one (PubChem CID 21344820) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 8-methoxy-4,4-dimethyloctan-2-one.

Molecular Properties

Compound Name8-methoxy-4,4-dimethyloctan-2-one
PubChem CID21344820
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name8-methoxy-4,4-dimethyloctan-2-one
SMILESCOCCCCC(C)(C)CC(C)=O
InChIInChI=1S/C11H22O2/c1-10(12)9-11(2,3)7-5-6-8-13-4/h5-9H2,1-4H3
InChIKeyREFKZBOFTZDMCW-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-3,3-dimethylheptanoic acid
CID 104650863
5-methoxy-4,4-dimethylpentan-2-one
CID 54387019
6-methoxy-2,2-dimethylhexan-1-amine
CID 104649285
methyl 7-[3-(7-methoxy-5,5-dimethyl-7-oxoheptoxy)propoxy]-3,3-dimethylheptanoate
CID 21303575
17-methoxyheptadecan-2-one
CID 59530855
methyl 5-methoxy-3,3-dimethylpentanoate
CID 153309889
4,4-dimethyl-6-oxoheptanoic acid
CID 15559932
diethyl 2-ethyl-2-(4-methoxybutyl)propanedioate
CID 104651057
7-(6-hydroxy-5,5-dimethylhexoxy)-3,3-dimethylheptanoic acid
CID 22606779
6-methoxy-2-methylhexan-2-amine
CID 94975413
7-methoxy-2,2-dimethylheptan-3-one
CID 58592140
6-methoxy-2-methyl-2-(methylcarbamoyl)hexanoic acid
CID 114900096

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4,4-dimethyloctan-2-one?
The IUPAC name of 8-methoxy-4,4-dimethyloctan-2-one (CID 21344820) is 8-methoxy-4,4-dimethyloctan-2-one.
What is the SMILES notation for 8-methoxy-4,4-dimethyloctan-2-one?
The canonical SMILES for 8-methoxy-4,4-dimethyloctan-2-one is COCCCCC(C)(C)CC(C)=O.
What is the InChIKey of 8-methoxy-4,4-dimethyloctan-2-one?
The InChIKey is REFKZBOFTZDMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-10(12)9-11(2,3)7-5-6-8-13-4/h5-9H2,1-4H3.
What are the key properties of 8-methoxy-4,4-dimethyloctan-2-one?
8-methoxy-4,4-dimethyloctan-2-one has a molecular weight of 186.29 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4,4-dimethyloctan-2-one is sourced from PubChem (CID 21344820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).