8-methoxy-2,2,4-trimethyloctan-3-one

C12H24O2 — CID 135139725

IUPAC8-methoxy-2,2,4-trimethyloctan-3-one
SMILESCOCCCCC(C)C(=O)C(C)(C)C
InChIInChI=1S/C12H24O2/c1-10(8-6-7-9-14-5)11(13)12(2,3)4/h10H,6-9H2,1-5H3
InChIKeyQVGFHDSXSYALMX-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.05
Rot. Bonds6

About 8-methoxy-2,2,4-trimethyloctan-3-one

8-methoxy-2,2,4-trimethyloctan-3-one (PubChem CID 135139725) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 8-methoxy-2,2,4-trimethyloctan-3-one.

Molecular Properties

Compound Name8-methoxy-2,2,4-trimethyloctan-3-one
PubChem CID135139725
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name8-methoxy-2,2,4-trimethyloctan-3-one
SMILESCOCCCCC(C)C(=O)C(C)(C)C
InChIInChI=1S/C12H24O2/c1-10(8-6-7-9-14-5)11(13)12(2,3)4/h10H,6-9H2,1-5H3
InChIKeyQVGFHDSXSYALMX-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.05
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

ethene;2,2,4-trimethyloctan-3-one
CID 162023724
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7-methoxy-4-methylheptan-3-one
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7-methoxy-2,2-dimethylheptan-3-one
CID 58592140
2-formamido-6-methoxyhexanoic acid
CID 104647734
methyl 2-[3-[2-(4-methoxybutoxymethyl)-3-(3-methoxypropoxy)-2-(3-methoxypropoxymethyl)propoxy]propyl]-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexanoate
CID 161409757
methane;7-methoxyheptan-2-ol
CID 158258066
bis(4-methoxybutyl) 2,3-dimethylbutanedioate
CID 101278780
5-amino-5-ethyl-1-methoxy-3-methylheptan-4-one
CID 116592684
(5R)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione
CID 163595845
sodium 6-methoxy-2-propylhexanoate
CID 59946152
1,11-dimethoxy-2-methylundecane
CID 118982395

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,2,4-trimethyloctan-3-one?
The IUPAC name of 8-methoxy-2,2,4-trimethyloctan-3-one (CID 135139725) is 8-methoxy-2,2,4-trimethyloctan-3-one.
What is the SMILES notation for 8-methoxy-2,2,4-trimethyloctan-3-one?
The canonical SMILES for 8-methoxy-2,2,4-trimethyloctan-3-one is COCCCCC(C)C(=O)C(C)(C)C.
What is the InChIKey of 8-methoxy-2,2,4-trimethyloctan-3-one?
The InChIKey is QVGFHDSXSYALMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-10(8-6-7-9-14-5)11(13)12(2,3)4/h10H,6-9H2,1-5H3.
What are the key properties of 8-methoxy-2,2,4-trimethyloctan-3-one?
8-methoxy-2,2,4-trimethyloctan-3-one has a molecular weight of 200.32 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,2,4-trimethyloctan-3-one is sourced from PubChem (CID 135139725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).