3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4,4-trimethylcyclohex-2-en-1-one

C17H32O2Si — CID 11426465

IUPAC3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4,4-trimethylcyclohex-2-en-1-one
SMILESCC1=C(CCO[Si](C)(C)C(C)(C)C)C(C)(C)CCC1=O
InChIInChI=1S/C17H32O2Si/c1-13-14(17(5,6)11-9-15(13)18)10-12-19-20(7,8)16(2,3)4/h9-12H2,1-8H3
InChIKeyRWVNFURGWZMLGI-UHFFFAOYSA-N
MW296.53 g/mol
LogP5.10
Rot. Bonds4

About 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4,4-trimethylcyclohex-2-en-1-one

3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4,4-trimethylcyclohex-2-en-1-one (PubChem CID 11426465) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4,4-trimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4,4-trimethylcyclohex-2-en-1-one
PubChem CID11426465
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4,4-trimethylcyclohex-2-en-1-one
SMILESCC1=C(CCO[Si](C)(C)C(C)(C)C)C(C)(C)CCC1=O
InChIInChI=1S/C17H32O2Si/c1-13-14(17(5,6)11-9-15(13)18)10-12-19-20(7,8)16(2,3)4/h9-12H2,1-8H3
InChIKeyRWVNFURGWZMLGI-UHFFFAOYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.10
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

(1S,5R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-methyl-4-propan-2-ylspiro[4.5]deca-3,8-dien-10-one
CID 127041220
3-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutyl]cyclohex-2-en-1-one
CID 11022792
3-[4-[Tert-butyl(dimethyl)silyl]oxy-2-ethylbutyl]cyclopent-2-en-1-one
CID 49793347
(5S)-2-methyl-5-prop-1-en-2-yl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-one
CID 134945473
3-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5,6,7-hexahydroinden-1-one
CID 135062140
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5,6,7,8-hexahydro-2H-azulen-1-one
CID 135063887
(2S,3E,7E,11S)-4,8,11-trimethyl-15-methylidene-2-tri(propan-2-yl)silyloxybicyclo[9.3.1]pentadeca-1(14),3,7-trien-13-one
CID 135070558
4-(3-((Tert-butyldimethylsilyl)oxy)propyl)-4-(3-methylbut-2-en-1-yl)cyclohex-2-en-1-one
CID 162786833
1,3,3-Trimethyl-2-[2-(tert-butyl)dimethylsyloxyethyl]cyclohexene-4-carboxaldehyde
CID 552393
Bicyclo[4.4.0]dec-1-en-3-one, 2,6-dimethyl-9-[3-(t-butyldimethylsilyloxy)prop-1-en-2-yl]-
CID 625953
3-([tert-Butyl(dimethyl)silyl]oxy)-7-isopropenyl-1,4a-dimethyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone
CID 625954
Bicyclo[4.4.0]dec-1-en-3-one, 2,6-dimethyl-9-isopropenyl-4-triethylsilyloxy-
CID 629252

Frequently Asked Questions

What is the IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4,4-trimethylcyclohex-2-en-1-one?
The IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4,4-trimethylcyclohex-2-en-1-one (CID 11426465) is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4,4-trimethylcyclohex-2-en-1-one.
What is the SMILES notation for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4,4-trimethylcyclohex-2-en-1-one?
The canonical SMILES for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4,4-trimethylcyclohex-2-en-1-one is CC1=C(CCO[Si](C)(C)C(C)(C)C)C(C)(C)CCC1=O.
What is the InChIKey of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4,4-trimethylcyclohex-2-en-1-one?
The InChIKey is RWVNFURGWZMLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-13-14(17(5,6)11-9-15(13)18)10-12-19-20(7,8)16(2,3)4/h9-12H2,1-8H3.
What are the key properties of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4,4-trimethylcyclohex-2-en-1-one?
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4,4-trimethylcyclohex-2-en-1-one has a molecular weight of 296.53 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4,4-trimethylcyclohex-2-en-1-one is sourced from PubChem (CID 11426465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).