1-trimethylsilyloxyoctan-2-one

C11H24O2Si — CID 169084631

IUPAC1-trimethylsilyloxyoctan-2-one
SMILESCCCCCCC(=O)CO[Si](C)(C)C
InChIInChI=1S/C11H24O2Si/c1-5-6-7-8-9-11(12)10-13-14(2,3)4/h5-10H2,1-4H3
InChIKeyRKIJHYOQSZVVAC-UHFFFAOYSA-N
MW216.40 g/mol
LogP3.38
Rot. Bonds8

About 1-trimethylsilyloxyoctan-2-one

1-trimethylsilyloxyoctan-2-one (PubChem CID 169084631) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is 1-trimethylsilyloxyoctan-2-one.

Molecular Properties

Compound Name1-trimethylsilyloxyoctan-2-one
PubChem CID169084631
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name1-trimethylsilyloxyoctan-2-one
SMILESCCCCCCC(=O)CO[Si](C)(C)C
InChIInChI=1S/C11H24O2Si/c1-5-6-7-8-9-11(12)10-13-14(2,3)4/h5-10H2,1-4H3
InChIKeyRKIJHYOQSZVVAC-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-Trimethylsilyloxyhexan-2-one
CID 13610760
3-[Tert-butyl(dimethyl)silyl]oxyoctan-2-one
CID 88003235
1,1,1-Trifluoro-2-trimethylsilyloxyoctan-3-one
CID 151934449
2-[Tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 14396580
14-{[tert-Butyl(dimethyl)silyl]oxy}tetradecan-2-one
CID 71426209
16-Triethylsilyloxyhexadecan-2-one
CID 86010278
(3S,4R)-3,4-bis(trimethylsilyloxy)octan-2-one
CID 135036795
15-Tributylstannyl-15-trimethylsilyloxypentadecan-4-one
CID 166443726
1,1,1-Trifluoro-2-trimethylsilyloxyundecan-3-one
CID 149739378
Trimethylsilyl 2-oxooctanoate
CID 575967
Octadecane-12-on-1-ol, TMS
CID 631035
(2S)-2-tri(propan-2-yl)silyloxydecanal
CID 101994421

Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilyloxyoctan-2-one?
The IUPAC name of 1-trimethylsilyloxyoctan-2-one (CID 169084631) is 1-trimethylsilyloxyoctan-2-one.
What is the SMILES notation for 1-trimethylsilyloxyoctan-2-one?
The canonical SMILES for 1-trimethylsilyloxyoctan-2-one is CCCCCCC(=O)CO[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilyloxyoctan-2-one?
The InChIKey is RKIJHYOQSZVVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-5-6-7-8-9-11(12)10-13-14(2,3)4/h5-10H2,1-4H3.
What are the key properties of 1-trimethylsilyloxyoctan-2-one?
1-trimethylsilyloxyoctan-2-one has a molecular weight of 216.40 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilyloxyoctan-2-one is sourced from PubChem (CID 169084631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).