4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methylbut-3-en-1-ynyl)cyclopent-2-en-1-one

C16H24O2Si — CID 10564441

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methylbut-3-en-1-ynyl)cyclopent-2-en-1-one
SMILESC=C(C)C#CC1=CC(O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C16H24O2Si/c1-12(2)8-9-13-10-14(11-15(13)17)18-19(6,7)16(3,4)5/h10,14H,1,11H2,2-7H3
InChIKeyOILSEKUIPZRXKX-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.86
Rot. Bonds2

About 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methylbut-3-en-1-ynyl)cyclopent-2-en-1-one

4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methylbut-3-en-1-ynyl)cyclopent-2-en-1-one (PubChem CID 10564441) has the molecular formula C16H24O2Si and a molecular weight of 276.45 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methylbut-3-en-1-ynyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methylbut-3-en-1-ynyl)cyclopent-2-en-1-one
PubChem CID10564441
Molecular FormulaC16H24O2Si
Molecular Weight276.45 g/mol
Exact Mass276.15
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methylbut-3-en-1-ynyl)cyclopent-2-en-1-one
SMILESC=C(C)C#CC1=CC(O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C16H24O2Si/c1-12(2)8-9-13-10-14(11-15(13)17)18-19(6,7)16(3,4)5/h10,14H,1,11H2,2-7H3
InChIKeyOILSEKUIPZRXKX-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(S)-4-tert-butyldimethylsilyloxy-2-cyclopenten-1-one
CID 10176717
4-((tert-Butyl(dimethyl)silyl)oxy)cyclopent-2-en-1-one
CID 4131699
(4R)-(+)-t-Butyldimethylsiloxy-2-cyclopenten-1-one
CID 2734530
2-(((Tert-butyldimethylsilyl)oxy)methyl)-2-cyclopentenone
CID 13161571
(4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 10566481
(4R,5S)-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-2-methyl-4-triethylsilyloxycyclopent-2-en-1-one
CID 11581069
2-Cyclopenten-1-one, 4-[[tris(1-methylethyl)silyl]oxy]-, (4S)-
CID 11817669
(4R)-4-triethylsilyloxycyclopent-2-en-1-one
CID 134888953
4-[Tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-one
CID 134963516
(5Z)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropylidene)cyclopent-2-en-1-one
CID 9816792
4-[Tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-one
CID 10987962
(5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropylidene)cyclopent-2-en-1-one
CID 11369146

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methylbut-3-en-1-ynyl)cyclopent-2-en-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methylbut-3-en-1-ynyl)cyclopent-2-en-1-one (CID 10564441) is 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methylbut-3-en-1-ynyl)cyclopent-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methylbut-3-en-1-ynyl)cyclopent-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methylbut-3-en-1-ynyl)cyclopent-2-en-1-one is C=C(C)C#CC1=CC(O[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methylbut-3-en-1-ynyl)cyclopent-2-en-1-one?
The InChIKey is OILSEKUIPZRXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2Si/c1-12(2)8-9-13-10-14(11-15(13)17)18-19(6,7)16(3,4)5/h10,14H,1,11H2,2-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methylbut-3-en-1-ynyl)cyclopent-2-en-1-one?
4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methylbut-3-en-1-ynyl)cyclopent-2-en-1-one has a molecular weight of 276.45 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methylbut-3-en-1-ynyl)cyclopent-2-en-1-one is sourced from PubChem (CID 10564441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).