4-[tert-butyl(diphenyl)silyl]oxy-5-(thiophen-3-ylmethylidene)cyclopent-2-en-1-one

C26H26O2SSi — CID 72517619

IUPAC4-[tert-butyl(diphenyl)silyl]oxy-5-(thiophen-3-ylmethylidene)cyclopent-2-en-1-one
SMILESCC(C)(C)[Si](OC1C=CC(=O)C1=Cc1ccsc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26O2SSi/c1-26(2,3)30(21-10-6-4-7-11-21,22-12-8-5-9-13-22)28-25-15-14-24(27)23(25)18-20-16-17-29-19-20/h4-19,25H,1-3H3
InChIKeyOKFKRSLXYJZARK-UHFFFAOYSA-N
MW430.65 g/mol
LogP5.22
Rot. Bonds5

About 4-[tert-butyl(diphenyl)silyl]oxy-5-(thiophen-3-ylmethylidene)cyclopent-2-en-1-one

4-[tert-butyl(diphenyl)silyl]oxy-5-(thiophen-3-ylmethylidene)cyclopent-2-en-1-one (PubChem CID 72517619) has the molecular formula C26H26O2SSi and a molecular weight of 430.65 g/mol. Its IUPAC name is 4-[tert-butyl(diphenyl)silyl]oxy-5-(thiophen-3-ylmethylidene)cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(diphenyl)silyl]oxy-5-(thiophen-3-ylmethylidene)cyclopent-2-en-1-one
PubChem CID72517619
Molecular FormulaC26H26O2SSi
Molecular Weight430.65 g/mol
Exact Mass430.14
IUPAC Name4-[tert-butyl(diphenyl)silyl]oxy-5-(thiophen-3-ylmethylidene)cyclopent-2-en-1-one
SMILESCC(C)(C)[Si](OC1C=CC(=O)C1=Cc1ccsc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26O2SSi/c1-26(2,3)30(21-10-6-4-7-11-21,22-12-8-5-9-13-22)28-25-15-14-24(27)23(25)18-20-16-17-29-19-20/h4-19,25H,1-3H3
InChIKeyOKFKRSLXYJZARK-UHFFFAOYSA-N
XLogP5.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.65
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[[3-[tert-butyl(diphenyl)silyl]oxy-3H-inden-4-yl]oxy]-diphenylsilane
CID 69332486
(4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one
CID 124674078
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexa-2,5-diene-1,4-dione
CID 16655856
cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde
CID 58018792
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
(4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one
CID 171692304
tert-butyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane
CID 102008296
(1R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-ol
CID 11739262
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane
CID 142577121
tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane
CID 158022147

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxy-5-(thiophen-3-ylmethylidene)cyclopent-2-en-1-one?
The IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxy-5-(thiophen-3-ylmethylidene)cyclopent-2-en-1-one (CID 72517619) is 4-[tert-butyl(diphenyl)silyl]oxy-5-(thiophen-3-ylmethylidene)cyclopent-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(diphenyl)silyl]oxy-5-(thiophen-3-ylmethylidene)cyclopent-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(diphenyl)silyl]oxy-5-(thiophen-3-ylmethylidene)cyclopent-2-en-1-one is CC(C)(C)[Si](OC1C=CC(=O)C1=Cc1ccsc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[tert-butyl(diphenyl)silyl]oxy-5-(thiophen-3-ylmethylidene)cyclopent-2-en-1-one?
The InChIKey is OKFKRSLXYJZARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O2SSi/c1-26(2,3)30(21-10-6-4-7-11-21,22-12-8-5-9-13-22)28-25-15-14-24(27)23(25)18-20-16-17-29-19-20/h4-19,25H,1-3H3.
What are the key properties of 4-[tert-butyl(diphenyl)silyl]oxy-5-(thiophen-3-ylmethylidene)cyclopent-2-en-1-one?
4-[tert-butyl(diphenyl)silyl]oxy-5-(thiophen-3-ylmethylidene)cyclopent-2-en-1-one has a molecular weight of 430.65 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(diphenyl)silyl]oxy-5-(thiophen-3-ylmethylidene)cyclopent-2-en-1-one is sourced from PubChem (CID 72517619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).