3-trimethylsilyloctan-2-one

C11H24OSi — CID 12524711

IUPAC3-trimethylsilyloctan-2-one
SMILESCCCCCC(C(C)=O)[Si](C)(C)C
InChIInChI=1S/C11H24OSi/c1-6-7-8-9-11(10(2)12)13(3,4)5/h11H,6-9H2,1-5H3
InChIKeyWVKZZWKSWXGUPE-UHFFFAOYSA-N
MW200.40 g/mol
LogP3.86
Rot. Bonds6

About 3-trimethylsilyloctan-2-one

3-trimethylsilyloctan-2-one (PubChem CID 12524711) has the molecular formula C11H24OSi and a molecular weight of 200.40 g/mol. Its IUPAC name is 3-trimethylsilyloctan-2-one.

Molecular Properties

Compound Name3-trimethylsilyloctan-2-one
PubChem CID12524711
Molecular FormulaC11H24OSi
Molecular Weight200.40 g/mol
Exact Mass200.16
IUPAC Name3-trimethylsilyloctan-2-one
SMILESCCCCCC(C(C)=O)[Si](C)(C)C
InChIInChI=1S/C11H24OSi/c1-6-7-8-9-11(10(2)12)13(3,4)5/h11H,6-9H2,1-5H3
InChIKeyWVKZZWKSWXGUPE-UHFFFAOYSA-N
XLogP3.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.40
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Octyl trimethylsilyl ketone
CID 3538356
(4R,6R)-4-[tert-butyl(dimethyl)silyl]-6-fluorononan-5-one
CID 15339848
4-(Trimethylsilyl)cyclohexanone
CID 4060849
1-(Trimethylsilyl)-1-octyn-3-one
CID 10954493
1-(Trimethylsilyl)undec-1-yn-3-one
CID 14798469
(4R,6S)-4-[tert-butyl(dimethyl)silyl]-6-fluorononan-5-one
CID 15339847
Undecanoyl-trimethylsilane
CID 13601208
Cyclohexanone, 3-(trimethylsilyl)-
CID 10964964
1-Trimethylsilyldecan-1-one
CID 11790984
1-(Trimethylsilyl)heptan-1-one
CID 12829476
1-Trimethylsilyloctan-4-one
CID 60040811
1,1-Dimethylsilacyclotridecan-7-one
CID 554403

Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilyloctan-2-one?
The IUPAC name of 3-trimethylsilyloctan-2-one (CID 12524711) is 3-trimethylsilyloctan-2-one.
What is the SMILES notation for 3-trimethylsilyloctan-2-one?
The canonical SMILES for 3-trimethylsilyloctan-2-one is CCCCCC(C(C)=O)[Si](C)(C)C.
What is the InChIKey of 3-trimethylsilyloctan-2-one?
The InChIKey is WVKZZWKSWXGUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24OSi/c1-6-7-8-9-11(10(2)12)13(3,4)5/h11H,6-9H2,1-5H3.
What are the key properties of 3-trimethylsilyloctan-2-one?
3-trimethylsilyloctan-2-one has a molecular weight of 200.40 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilyloctan-2-one is sourced from PubChem (CID 12524711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).