3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclohexan-1-one

C20H38O2Si — CID 10569052

IUPAC3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclohexan-1-one
SMILESCCCCCC(/C=C/C1CCCC(=O)C1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O2Si/c1-7-8-9-13-19(22-23(5,6)20(2,3)4)15-14-17-11-10-12-18(21)16-17/h14-15,17,19H,7-13,16H2,1-6H3/b15-14+
InChIKeyFAKJNPPTOYEJMI-CCEZHUSRSA-N
MW338.61 g/mol
LogP6.27
Rot. Bonds8

About 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclohexan-1-one

3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclohexan-1-one (PubChem CID 10569052) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclohexan-1-one
PubChem CID10569052
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Name3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclohexan-1-one
SMILESCCCCCC(/C=C/C1CCCC(=O)C1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O2Si/c1-7-8-9-13-19(22-23(5,6)20(2,3)4)15-14-17-11-10-12-18(21)16-17/h14-15,17,19H,7-13,16H2,1-6H3/b15-14+
InChIKeyFAKJNPPTOYEJMI-CCEZHUSRSA-N
XLogP6.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 56.27
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(12R,13R,15R)-13-[tert-butyl(dimethyl)silyl]oxy-15-propan-2-ylbicyclo[10.2.1]pentadec-1(14)-en-3-one
CID 11372788
(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnon-6-en-3-one
CID 11472059
2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohex-2-en-1-yl]acetaldehyde
CID 12132480
3-[(E)-2-methyl-6-tri(propan-2-yl)silyloxyhex-1-enyl]-4-propan-2-ylcyclohexan-1-one
CID 15071506
3-[(E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-enyl]cyclohexan-1-one
CID 101625783
(5R,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-one
CID 134865994
4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one
CID 134870496
ethyl 2-[(1S,5R)-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-yl]acetate
CID 134916264
(5S)-2-methyl-5-prop-1-en-2-yl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-one
CID 134945473
1-cyclohexylprop-2-enoxy-[(2E,5E)-hepta-2,5-dien-4-yl]oxy-di(propan-2-yl)silane
CID 135079746
tert-butyl-[(E)-1-cyclohexyloct-1-en-3-yl]oxy-dimethylsilane
CID 146167066
1-(4-Methyl-2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone
CID 552995

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclohexan-1-one?
The IUPAC name of 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclohexan-1-one (CID 10569052) is 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclohexan-1-one.
What is the SMILES notation for 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclohexan-1-one?
The canonical SMILES for 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclohexan-1-one is CCCCCC(/C=C/C1CCCC(=O)C1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclohexan-1-one?
The InChIKey is FAKJNPPTOYEJMI-CCEZHUSRSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-7-8-9-13-19(22-23(5,6)20(2,3)4)15-14-17-11-10-12-18(21)16-17/h14-15,17,19H,7-13,16H2,1-6H3/b15-14+.
What are the key properties of 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclohexan-1-one?
3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclohexan-1-one has a molecular weight of 338.61 g/mol, XLogP of 6.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclohexan-1-one is sourced from PubChem (CID 10569052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).