6-trimethylsilyloxycyclohex-2-en-1-one

C9H16O2Si — CID 25191932

IUPAC6-trimethylsilyloxycyclohex-2-en-1-one
SMILESC[Si](C)(C)OC1CCC=CC1=O
InChIInChI=1S/C9H16O2Si/c1-12(2,3)11-9-7-5-4-6-8(9)10/h4,6,9H,5,7H2,1-3H3
InChIKeyXIFLGDMRPKNCDM-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.13
Rot. Bonds2

About 6-trimethylsilyloxycyclohex-2-en-1-one

6-trimethylsilyloxycyclohex-2-en-1-one (PubChem CID 25191932) has the molecular formula C9H16O2Si and a molecular weight of 184.31 g/mol. Its IUPAC name is 6-trimethylsilyloxycyclohex-2-en-1-one.

Molecular Properties

Compound Name6-trimethylsilyloxycyclohex-2-en-1-one
PubChem CID25191932
Molecular FormulaC9H16O2Si
Molecular Weight184.31 g/mol
Exact Mass184.09
IUPAC Name6-trimethylsilyloxycyclohex-2-en-1-one
SMILESC[Si](C)(C)OC1CCC=CC1=O
InChIInChI=1S/C9H16O2Si/c1-12(2,3)11-9-7-5-4-6-8(9)10/h4,6,9H,5,7H2,1-3H3
InChIKeyXIFLGDMRPKNCDM-UHFFFAOYSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.13
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

5-{[tert-Butyl(dimethyl)silyl]oxy}cyclohex-2-en-1-one
CID 10307993
5alpha-(tert-Butyldimethylsiloxy)-2-cyclohexen-1-one
CID 11128022
7-[Tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one
CID 13496136
(2E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxonona-2,8-dienal
CID 53494078
(6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-one
CID 139249224
(6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-one
CID 155933052
2-[2-[Tert-butyl(dimethyl)silyl]oxypropyl]cyclohexa-2,5-diene-1,4-dione
CID 21601688
5-[Tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 13057933
6-Methyl-10-triethylsilyloxycyclodeca-2,6-dien-1-one
CID 57306257
Cyclopent-2-en-1-one;hept-1-en-3-yloxy(trimethyl)silane
CID 70572416
(S,E)-2-(tert-butyldimethylsilyloxy)non-4-en-3-one
CID 86668696
(R,E)-2-(tert-butyldimethylsilyloxy)non-4-en-3-one
CID 86668703

Frequently Asked Questions

What is the IUPAC name of 6-trimethylsilyloxycyclohex-2-en-1-one?
The IUPAC name of 6-trimethylsilyloxycyclohex-2-en-1-one (CID 25191932) is 6-trimethylsilyloxycyclohex-2-en-1-one.
What is the SMILES notation for 6-trimethylsilyloxycyclohex-2-en-1-one?
The canonical SMILES for 6-trimethylsilyloxycyclohex-2-en-1-one is C[Si](C)(C)OC1CCC=CC1=O.
What is the InChIKey of 6-trimethylsilyloxycyclohex-2-en-1-one?
The InChIKey is XIFLGDMRPKNCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2Si/c1-12(2,3)11-9-7-5-4-6-8(9)10/h4,6,9H,5,7H2,1-3H3.
What are the key properties of 6-trimethylsilyloxycyclohex-2-en-1-one?
6-trimethylsilyloxycyclohex-2-en-1-one has a molecular weight of 184.31 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-trimethylsilyloxycyclohex-2-en-1-one is sourced from PubChem (CID 25191932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).