4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-prop-2-enylcyclopent-2-en-1-one

C15H26O2Si — CID 19428659

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-prop-2-enylcyclopent-2-en-1-one
SMILESC=CCC1=C(C)C(O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C15H26O2Si/c1-8-9-12-11(2)14(10-13(12)16)17-18(6,7)15(3,4)5/h8,14H,1,9-10H2,2-7H3
InChIKeyFTYYRTYCSHXOBR-UHFFFAOYSA-N
MW266.46 g/mol
LogP4.24
Rot. Bonds4

About 4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-prop-2-enylcyclopent-2-en-1-one

4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-prop-2-enylcyclopent-2-en-1-one (PubChem CID 19428659) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-prop-2-enylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-prop-2-enylcyclopent-2-en-1-one
PubChem CID19428659
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-prop-2-enylcyclopent-2-en-1-one
SMILESC=CCC1=C(C)C(O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C15H26O2Si/c1-8-9-12-11(2)14(10-13(12)16)17-18(6,7)15(3,4)5/h8,14H,1,9-10H2,2-7H3
InChIKeyFTYYRTYCSHXOBR-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(S)-4-tert-butyldimethylsilyloxy-2-cyclopenten-1-one
CID 10176717
(4R)-(+)-t-Butyldimethylsiloxy-2-cyclopenten-1-one
CID 2734530
4-((tert-Butyl(dimethyl)silyl)oxy)cyclopent-2-en-1-one
CID 4131699
2-Cyclohexen-1-one, 2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-
CID 11230203
3-Butyl-2-methyl-5-methylidene-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-one
CID 16046348
4-[Tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-one
CID 134963516
2-(((Tert-butyldimethylsilyl)oxy)methyl)-2-cyclopentenone
CID 13161571
3-[[(Tert-butyldimethylsilyl)oxy]methyl]-2-cyclopentenone
CID 15649271
(RS)-4-t-butyldimethylsilyloxy-3-methyl-2-(2,2,2-trifluoroethyl)cyclopent-2-en-1-one
CID 22908402
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2,2,2-trifluoroethyl)cyclopent-2-en-1-one
CID 67642035
4-Triethylsilyloxycyclopent-2-en-1-one
CID 21102327
3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-2-en-1-one
CID 11184065

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-prop-2-enylcyclopent-2-en-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-prop-2-enylcyclopent-2-en-1-one (CID 19428659) is 4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-prop-2-enylcyclopent-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-prop-2-enylcyclopent-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-prop-2-enylcyclopent-2-en-1-one is C=CCC1=C(C)C(O[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-prop-2-enylcyclopent-2-en-1-one?
The InChIKey is FTYYRTYCSHXOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2Si/c1-8-9-12-11(2)14(10-13(12)16)17-18(6,7)15(3,4)5/h8,14H,1,9-10H2,2-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-prop-2-enylcyclopent-2-en-1-one?
4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-prop-2-enylcyclopent-2-en-1-one has a molecular weight of 266.46 g/mol, XLogP of 4.24, 4 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-3-methyl-2-prop-2-enylcyclopent-2-en-1-one is sourced from PubChem (CID 19428659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).