3,3,5,5-tetramethyloctan-4-one

C12H24O — CID 89362590

IUPAC3,3,5,5-tetramethyloctan-4-one
SMILESCCCC(C)(C)C(=O)C(C)(C)CC
InChIInChI=1S/C12H24O/c1-7-9-12(5,6)10(13)11(3,4)8-2/h7-9H2,1-6H3
InChIKeyOUNGKUOMKWWNRU-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.82
Rot. Bonds5

About 3,3,5,5-tetramethyloctan-4-one

3,3,5,5-tetramethyloctan-4-one (PubChem CID 89362590) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3,3,5,5-tetramethyloctan-4-one.

Molecular Properties

Compound Name3,3,5,5-tetramethyloctan-4-one
PubChem CID89362590
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3,3,5,5-tetramethyloctan-4-one
SMILESCCCC(C)(C)C(=O)C(C)(C)CC
InChIInChI=1S/C12H24O/c1-7-9-12(5,6)10(13)11(3,4)8-2/h7-9H2,1-6H3
InChIKeyOUNGKUOMKWWNRU-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,5,5-tetramethylheptan-4-one
CID 18520351
silver 2,2-dimethylpentanoate
CID 121375132
CID 20669389
CID 20669389
N-hydroxy-2,2-dimethylpentanamide;hydrochloride
CID 140997012
4,6-diiodo-4,6-dimethylnonan-5-one
CID 151670843
methyl 2,2-dimethylpentaneperoxoate
CID 150776047
2,2-dimethylbutanoic acid;methane
CID 159782886
2,4,4-trimethyl-2-(phosphanylmethoxy)hexan-3-one
CID 130387545
palladium;bis(2,3,4,4-tetramethylhept-2-enoic acid)
CID 165147382
3-methyl-3-(3-methylhexan-3-yltellanyl)hexane;propanoic acid
CID 175415123
N-(3-amino-3-oxopropyl)-2,2-dimethylpentanamide
CID 130272228
2,2-dimethylpentanoic acid;3,4-dimethylpentanoic acid
CID 175526409

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyloctan-4-one?
The IUPAC name of 3,3,5,5-tetramethyloctan-4-one (CID 89362590) is 3,3,5,5-tetramethyloctan-4-one.
What is the SMILES notation for 3,3,5,5-tetramethyloctan-4-one?
The canonical SMILES for 3,3,5,5-tetramethyloctan-4-one is CCCC(C)(C)C(=O)C(C)(C)CC.
What is the InChIKey of 3,3,5,5-tetramethyloctan-4-one?
The InChIKey is OUNGKUOMKWWNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-7-9-12(5,6)10(13)11(3,4)8-2/h7-9H2,1-6H3.
What are the key properties of 3,3,5,5-tetramethyloctan-4-one?
3,3,5,5-tetramethyloctan-4-one has a molecular weight of 184.32 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyloctan-4-one is sourced from PubChem (CID 89362590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).