3,5-dimethyl-6-triethylsilyloxyhexan-2-one

C14H30O2Si — CID 72985644

IUPAC3,5-dimethyl-6-triethylsilyloxyhexan-2-one
SMILESCC[Si](CC)(CC)OCC(C)CC(C)C(C)=O
InChIInChI=1S/C14H30O2Si/c1-7-17(8-2,9-3)16-11-12(4)10-13(5)14(6)15/h12-13H,7-11H2,1-6H3
InChIKeyJXGWNAVPWXIDQT-UHFFFAOYSA-N
MW258.48 g/mol
LogP4.26
Rot. Bonds9

About 3,5-dimethyl-6-triethylsilyloxyhexan-2-one

3,5-dimethyl-6-triethylsilyloxyhexan-2-one (PubChem CID 72985644) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is 3,5-dimethyl-6-triethylsilyloxyhexan-2-one.

Molecular Properties

Compound Name3,5-dimethyl-6-triethylsilyloxyhexan-2-one
PubChem CID72985644
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name3,5-dimethyl-6-triethylsilyloxyhexan-2-one
SMILESCC[Si](CC)(CC)OCC(C)CC(C)C(C)=O
InChIInChI=1S/C14H30O2Si/c1-7-17(8-2,9-3)16-11-12(4)10-13(5)14(6)15/h12-13H,7-11H2,1-6H3
InChIKeyJXGWNAVPWXIDQT-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(((tert-Butyldimethylsilyl)oxy)methyl)cyclopentanone
CID 10922280
2-Hexanone, 6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10922346
(4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal
CID 10944672
2-[Tert-butyl(dimethyl)silyl]oxy-1-cyclobutylethanone
CID 59254752
(4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-2-one
CID 10377185
6-Tri(propan-2-yl)silyloxyhexan-2-one
CID 10635941
(4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-one
CID 10657116
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-3-one
CID 11219118
2-[Tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one
CID 13398604
(4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal
CID 14014588
6-[Tert-butyl(dimethyl)silyl]oxy-3-methylhexanal
CID 21579085
6-[Tert-butyl(dimethyl)silyl]oxy-4-methylhexan-3-one
CID 101776532

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-6-triethylsilyloxyhexan-2-one?
The IUPAC name of 3,5-dimethyl-6-triethylsilyloxyhexan-2-one (CID 72985644) is 3,5-dimethyl-6-triethylsilyloxyhexan-2-one.
What is the SMILES notation for 3,5-dimethyl-6-triethylsilyloxyhexan-2-one?
The canonical SMILES for 3,5-dimethyl-6-triethylsilyloxyhexan-2-one is CC[Si](CC)(CC)OCC(C)CC(C)C(C)=O.
What is the InChIKey of 3,5-dimethyl-6-triethylsilyloxyhexan-2-one?
The InChIKey is JXGWNAVPWXIDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-7-17(8-2,9-3)16-11-12(4)10-13(5)14(6)15/h12-13H,7-11H2,1-6H3.
What are the key properties of 3,5-dimethyl-6-triethylsilyloxyhexan-2-one?
3,5-dimethyl-6-triethylsilyloxyhexan-2-one has a molecular weight of 258.48 g/mol, XLogP of 4.26, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-6-triethylsilyloxyhexan-2-one is sourced from PubChem (CID 72985644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).