4-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-6-sulfanylidenecyclohexa-2,4-dien-1-one

C14H22O2SSi — CID 46217614

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-6-sulfanylidenecyclohexa-2,4-dien-1-one
SMILESCC1=CC(O[Si](C)(C)C(C)(C)C)=C(C)C(=S)C1=O
InChIInChI=1S/C14H22O2SSi/c1-9-8-11(10(2)13(17)12(9)15)16-18(6,7)14(3,4)5/h8H,1-7H3
InChIKeyUKKVYRNCRAOREC-UHFFFAOYSA-N
MW282.48 g/mol
LogP4.18
Rot. Bonds2

About 4-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-6-sulfanylidenecyclohexa-2,4-dien-1-one

4-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-6-sulfanylidenecyclohexa-2,4-dien-1-one (PubChem CID 46217614) has the molecular formula C14H22O2SSi and a molecular weight of 282.48 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-6-sulfanylidenecyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-6-sulfanylidenecyclohexa-2,4-dien-1-one
PubChem CID46217614
Molecular FormulaC14H22O2SSi
Molecular Weight282.48 g/mol
Exact Mass282.11
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-6-sulfanylidenecyclohexa-2,4-dien-1-one
SMILESCC1=CC(O[Si](C)(C)C(C)(C)C)=C(C)C(=S)C1=O
InChIInChI=1S/C14H22O2SSi/c1-9-8-11(10(2)13(17)12(9)15)16-18(6,7)14(3,4)5/h8H,1-7H3
InChIKeyUKKVYRNCRAOREC-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-6-sulfanylidenecyclohexa-2,4-dien-1-one with MolForge

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-sulfanylidenecyclohexa-2,4-dien-1-one
CID 46217615
3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclobut-3-ene-1,2-dione
CID 59805381
tert-butyl-dimethyl-(4-methylcyclopenta-1,4-dien-1-yl)oxysilane
CID 14838981
(1R,4S)-2-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]hept-2-en-7-one
CID 102463309
tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-dimethylsilane
CID 126970735
tert-butyl-dimethyl-[4,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]naphthalen-1-yl]oxysilane
CID 10604266
N-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxypteridin-2-amine
CID 91743036
tert-butyl-dimethyl-pyrimidin-2-yloxysilane
CID 90318512
2-[3-[tert-butyl(dimethyl)silyl]oxyanilino]-5-methylcyclohexa-2,5-diene-1,4-dione
CID 134846304
(3aS,9aR,9bR,11aS)-4-[tert-butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione
CID 57244558
4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylaniline
CID 11043205
[4-[tert-butyl(dimethyl)silyl]oxyphenyl] N-ethylcarbamate
CID 69186234

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-6-sulfanylidenecyclohexa-2,4-dien-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-6-sulfanylidenecyclohexa-2,4-dien-1-one (CID 46217614) is 4-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-6-sulfanylidenecyclohexa-2,4-dien-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-6-sulfanylidenecyclohexa-2,4-dien-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-6-sulfanylidenecyclohexa-2,4-dien-1-one is CC1=CC(O[Si](C)(C)C(C)(C)C)=C(C)C(=S)C1=O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-6-sulfanylidenecyclohexa-2,4-dien-1-one?
The InChIKey is UKKVYRNCRAOREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2SSi/c1-9-8-11(10(2)13(17)12(9)15)16-18(6,7)14(3,4)5/h8H,1-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-6-sulfanylidenecyclohexa-2,4-dien-1-one?
4-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-6-sulfanylidenecyclohexa-2,4-dien-1-one has a molecular weight of 282.48 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-6-sulfanylidenecyclohexa-2,4-dien-1-one is sourced from PubChem (CID 46217614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).