4-[tert-butyl(diphenyl)silyl]oxy-2-iodocyclohex-2-en-1-one

C22H25IO2Si — CID 11352003

IUPAC4-[tert-butyl(diphenyl)silyl]oxy-2-iodocyclohex-2-en-1-one
SMILESCC(C)(C)[Si](OC1C=C(I)C(=O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25IO2Si/c1-22(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-17-14-15-21(24)20(23)16-17/h4-13,16-17H,14-15H2,1-3H3
InChIKeyOBNZUTGQSODCGZ-UHFFFAOYSA-N
MW476.43 g/mol
LogP4.61
Rot. Bonds4

About 4-[tert-butyl(diphenyl)silyl]oxy-2-iodocyclohex-2-en-1-one

4-[tert-butyl(diphenyl)silyl]oxy-2-iodocyclohex-2-en-1-one (PubChem CID 11352003) has the molecular formula C22H25IO2Si and a molecular weight of 476.43 g/mol. Its IUPAC name is 4-[tert-butyl(diphenyl)silyl]oxy-2-iodocyclohex-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(diphenyl)silyl]oxy-2-iodocyclohex-2-en-1-one
PubChem CID11352003
Molecular FormulaC22H25IO2Si
Molecular Weight476.43 g/mol
Exact Mass476.07
IUPAC Name4-[tert-butyl(diphenyl)silyl]oxy-2-iodocyclohex-2-en-1-one
SMILESCC(C)(C)[Si](OC1C=C(I)C(=O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25IO2Si/c1-22(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-17-14-15-21(24)20(23)16-17/h4-13,16-17H,14-15H2,1-3H3
InChIKeyOBNZUTGQSODCGZ-UHFFFAOYSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.43
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[(2R,4aR,5S)-4a,5-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]oxy-tert-butyl-diphenylsilane
CID 99771961
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
(1R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-ol
CID 11739262
5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 58011546
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
(5R,9R)-9-[tert-butyl(diphenyl)silyl]oxyspiro[4.4]nonan-4-one
CID 10453157
(4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one
CID 124674078
tert-butyl-[(3R)-2,2-dimethyloxolan-3-yl]oxy-diphenylsilane
CID 125472963
(3aR,4R,7aS)-4-[tert-butyl(diphenyl)silyl]oxy-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-one
CID 11373147
(5R,10R)-10-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]decan-4-one
CID 10250796
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxy-2-iodocyclohex-2-en-1-one?
The IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxy-2-iodocyclohex-2-en-1-one (CID 11352003) is 4-[tert-butyl(diphenyl)silyl]oxy-2-iodocyclohex-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(diphenyl)silyl]oxy-2-iodocyclohex-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(diphenyl)silyl]oxy-2-iodocyclohex-2-en-1-one is CC(C)(C)[Si](OC1C=C(I)C(=O)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[tert-butyl(diphenyl)silyl]oxy-2-iodocyclohex-2-en-1-one?
The InChIKey is OBNZUTGQSODCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25IO2Si/c1-22(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-17-14-15-21(24)20(23)16-17/h4-13,16-17H,14-15H2,1-3H3.
What are the key properties of 4-[tert-butyl(diphenyl)silyl]oxy-2-iodocyclohex-2-en-1-one?
4-[tert-butyl(diphenyl)silyl]oxy-2-iodocyclohex-2-en-1-one has a molecular weight of 476.43 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(diphenyl)silyl]oxy-2-iodocyclohex-2-en-1-one is sourced from PubChem (CID 11352003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).