1-(4-methyl-2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone

C12H22O2Si — CID 552995

IUPAC1-(4-methyl-2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone
SMILESCC(=O)C1CCC(C)=CC1O[Si](C)(C)C
InChIInChI=1S/C12H22O2Si/c1-9-6-7-11(10(2)13)12(8-9)14-15(3,4)5/h8,11-12H,6-7H2,1-5H3
InChIKeyVRJRBPCGCHRIQZ-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.15
Rot. Bonds3

About 1-(4-methyl-2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone

1-(4-methyl-2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone (PubChem CID 552995) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is 1-(4-methyl-2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone
PubChem CID552995
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name1-(4-methyl-2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone
SMILESCC(=O)C1CCC(C)=CC1O[Si](C)(C)C
InChIInChI=1S/C12H22O2Si/c1-9-6-7-11(10(2)13)12(8-9)14-15(3,4)5/h8,11-12H,6-7H2,1-5H3
InChIKeyVRJRBPCGCHRIQZ-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnon-6-en-3-one
CID 11472059
methyl (1R,2S)-4-methyl-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 102515896
(5R,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-one
CID 134865994
methyl (1R,2R)-4-methyl-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 134979475
1-[(1R)-4-[(1S)-2-methyl-1-trimethylsilyloxypropyl]cyclohex-3-en-1-yl]ethanone
CID 14979590
Ethanone, 1-[4-methyl-2-[(trimethylsilyl)oxy]-3-cyclohexen-1-yl]-, cis-(+/-)-
CID 91696613
1-[(1S)-4-[(1R)-1-trimethylsilyloxyheptyl]cyclohex-3-en-1-yl]ethanone
CID 101675748
3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclohexan-1-one
CID 10569052
2-[3-[[Tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]acetaldehyde
CID 21879596
3-[3-[Tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclohexan-1-one
CID 53788910
4-[Tert-butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-1,3-dien-1-yl)cyclopent-2-en-1-one
CID 70003441
(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylcyclohex-2-en-1-one
CID 91156705

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone?
The IUPAC name of 1-(4-methyl-2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone (CID 552995) is 1-(4-methyl-2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone?
The canonical SMILES for 1-(4-methyl-2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone is CC(=O)C1CCC(C)=CC1O[Si](C)(C)C.
What is the InChIKey of 1-(4-methyl-2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone?
The InChIKey is VRJRBPCGCHRIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-9-6-7-11(10(2)13)12(8-9)14-15(3,4)5/h8,11-12H,6-7H2,1-5H3.
What are the key properties of 1-(4-methyl-2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone?
1-(4-methyl-2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone has a molecular weight of 226.39 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone is sourced from PubChem (CID 552995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).