(4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloctan-2-one

C16H34O2Si — CID 135039023

IUPAC(4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloctan-2-one
SMILESCC[C@H](CCCCO[Si](C)(C)C(C)(C)C)CC(C)=O
InChIInChI=1S/C16H34O2Si/c1-8-15(13-14(2)17)11-9-10-12-18-19(6,7)16(3,4)5/h15H,8-13H2,1-7H3/t15-/m1/s1
InChIKeyPYITVOOOZMPDEP-OAHLLOKOSA-N
MW286.53 g/mol
LogP5.18
Rot. Bonds9

About (4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloctan-2-one

(4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloctan-2-one (PubChem CID 135039023) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is (4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloctan-2-one.

Molecular Properties

Compound Name(4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloctan-2-one
PubChem CID135039023
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name(4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloctan-2-one
SMILESCC[C@H](CCCCO[Si](C)(C)C(C)(C)C)CC(C)=O
InChIInChI=1S/C16H34O2Si/c1-8-15(13-14(2)17)11-9-10-12-18-19(6,7)16(3,4)5/h15H,8-13H2,1-7H3/t15-/m1/s1
InChIKeyPYITVOOOZMPDEP-OAHLLOKOSA-N
XLogP5.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.53
LogP ≤ 55.18
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

3-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10085307
(1S)-1-{[tert-Butyl(dimethyl)silyl]oxy}-1-cyclohexylbutan-2-one
CID 13228831
(-)-(R)-3-(4-((tert-Butyldimethylsilyl)oxy)butyl))-4,4-dimethylcyclohexanone
CID 57336727
(1R)-1-{[tert-Butyl(dimethyl)silyl]oxy}-1-cyclohexylbutan-2-one
CID 71421165
(+)-(R)-3-(4-((tert-Butyldimethylsilyl)oxy)butyl)-3-methylcyclohexanone
CID 131746606
2-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]-2-methylcyclohexan-1-one
CID 11312577
trans-(2S,5R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 11832982
trans-(2R,5S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 45378851
14-{[tert-Butyl(dimethyl)silyl]oxy}tetradecan-2-one
CID 71426209
8-[Tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one
CID 72824520
16-Triethylsilyloxyhexadecan-2-one
CID 86010278
7-[Tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-heptan-2-one
CID 99768812

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloctan-2-one?
The IUPAC name of (4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloctan-2-one (CID 135039023) is (4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloctan-2-one.
What is the SMILES notation for (4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloctan-2-one?
The canonical SMILES for (4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloctan-2-one is CC[C@H](CCCCO[Si](C)(C)C(C)(C)C)CC(C)=O.
What is the InChIKey of (4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloctan-2-one?
The InChIKey is PYITVOOOZMPDEP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-8-15(13-14(2)17)11-9-10-12-18-19(6,7)16(3,4)5/h15H,8-13H2,1-7H3/t15-/m1/s1.
What are the key properties of (4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloctan-2-one?
(4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloctan-2-one has a molecular weight of 286.53 g/mol, XLogP of 5.18, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloctan-2-one is sourced from PubChem (CID 135039023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).