(1S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one

C14H26O2Si — CID 10848573

IUPAC(1S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@@H]2CC[C@H]1CC2=O
InChIInChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-13-9-10-6-7-11(13)8-12(10)15/h10-11,13H,6-9H2,1-5H3/t10-,11-,13-/m0/s1
InChIKeyFUERARYBIXAMGM-GVXVVHGQSA-N
MW254.45 g/mol
LogP3.77
Rot. Bonds2

About (1S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one

(1S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one (PubChem CID 10848573) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (1S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one.

Molecular Properties

Compound Name(1S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one
PubChem CID10848573
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(1S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@@H]2CC[C@H]1CC2=O
InChIInChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-13-9-10-6-7-11(13)8-12(10)15/h10-11,13H,6-9H2,1-5H3/t10-,11-,13-/m0/s1
InChIKeyFUERARYBIXAMGM-GVXVVHGQSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.77
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

(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylcyclohexan-1-one
CID 11807310
trans-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylcyclohexan-1-one
CID 11097207
2-Propanone, 1-(2-(((1,1-dimethylethyl)dimethylsilyl)oxy)cyclohexyl)-, trans-
CID 182724
5-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one
CID 22164619
2-[2-[Tert-butyl(dimethyl)silyl]oxy-5-oxo-1-bicyclo[2.2.2]octanyl]acetaldehyde
CID 57666178
5-[Tert-butyl(dimethyl)silyl]oxy-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]bicyclo[2.2.2]octan-2-one
CID 57666209
5-[Tert-butyl(dimethyl)silyl]oxy-4-prop-2-ynylbicyclo[2.2.2]octan-2-one
CID 57666228
4-(Tert-butyldimethylsilyloxy)-2-methylcyclohexanone
CID 67499019
5-[Tert-butyl(dimethyl)silyl]oxy-4-propylbicyclo[2.2.2]octan-2-one
CID 68174290
(2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylcyclohexan-1-one
CID 154130961
CID 10517050
CID 10517050
(1R,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one
CID 10562927

Frequently Asked Questions

What is the IUPAC name of (1S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one?
The IUPAC name of (1S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one (CID 10848573) is (1S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one.
What is the SMILES notation for (1S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one?
The canonical SMILES for (1S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one is CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H]2CC[C@H]1CC2=O.
What is the InChIKey of (1S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one?
The InChIKey is FUERARYBIXAMGM-GVXVVHGQSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-13-9-10-6-7-11(13)8-12(10)15/h10-11,13H,6-9H2,1-5H3/t10-,11-,13-/m0/s1.
What are the key properties of (1S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one?
(1S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one has a molecular weight of 254.45 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one is sourced from PubChem (CID 10848573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).