1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl]ethanone

C18H34O2Si — CID 102511329

IUPAC1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl]ethanone
SMILESCC(=O)C1C(C)(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C
InChIInChI=1S/C18H34O2Si/c1-13(19)15-17(5,6)11-14(12-18(15,7)8)20-21(9,10)16(2,3)4/h11,15H,12H2,1-10H3
InChIKeyFCDNACUVJXREQA-UHFFFAOYSA-N
MW310.55 g/mol
LogP5.55
Rot. Bonds3

About 1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl]ethanone

1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl]ethanone (PubChem CID 102511329) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is 1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl]ethanone
PubChem CID102511329
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl]ethanone
SMILESCC(=O)C1C(C)(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C
InChIInChI=1S/C18H34O2Si/c1-13(19)15-17(5,6)11-14(12-18(15,7)8)20-21(9,10)16(2,3)4/h11,15H,12H2,1-10H3
InChIKeyFCDNACUVJXREQA-UHFFFAOYSA-N
XLogP5.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl]ethanone with MolForge

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Related Compounds

4-Tert-butyl-1-cyclohexen-1-yl tert-butyl(dimethyl)silyl ether
CID 12439600
1-{4-[(Trimethylsilyl)oxy]cyclohex-3-en-1-yl}ethan-1-one
CID 13939912
1-[1-(Fluoromethyl)-4-trimethylsilyloxycyclohex-3-en-1-yl]ethanone
CID 149559132
1-Methyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde
CID 10913494
5,5-Dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one
CID 12822761
((4-(Tert-butyl)cyclohex-1-en-1-yl)oxy)triethylsilane
CID 14288526
3-[Tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one
CID 15660281
1-[(3aR,7aS)-6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2,3,7,7a-tetrahydro-1H-inden-3a-yl]ethanone
CID 71518304
tert-butyl-[(4S)-4-tert-butylcyclohexen-1-yl]oxy-dimethylsilane
CID 99772921
3-[Ditert-butyl-(5,5-dimethyl-3-oxocyclohexen-1-yl)oxysilyl]oxy-5,5-dimethylcyclohex-2-en-1-one
CID 101453807
1-[(1R,2S,5S)-2,5-dimethyl-4-tri(propan-2-yl)silyloxycyclohex-3-en-1-yl]propan-1-one
CID 102257272
1-[(1R,2S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylcyclohex-3-en-1-yl]propan-1-one
CID 102257278

Frequently Asked Questions

What is the IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl]ethanone?
The IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl]ethanone (CID 102511329) is 1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl]ethanone.
What is the SMILES notation for 1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl]ethanone?
The canonical SMILES for 1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl]ethanone is CC(=O)C1C(C)(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C.
What is the InChIKey of 1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl]ethanone?
The InChIKey is FCDNACUVJXREQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-13(19)15-17(5,6)11-14(12-18(15,7)8)20-21(9,10)16(2,3)4/h11,15H,12H2,1-10H3.
What are the key properties of 1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl]ethanone?
1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl]ethanone has a molecular weight of 310.55 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl]ethanone is sourced from PubChem (CID 102511329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).