4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-non-2-enyl]cyclopent-2-en-1-one

C20H36O2Si — CID 59941513

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-non-2-enyl]cyclopent-2-en-1-one
SMILESCCCCCC/C=C\CC1=CC(O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C20H36O2Si/c1-7-8-9-10-11-12-13-14-17-15-18(16-19(17)21)22-23(5,6)20(2,3)4/h12-13,15,18H,7-11,14,16H2,1-6H3/b13-12-
InChIKeyPQWLATDUKHCHDU-SEYXRHQNSA-N
MW336.59 g/mol
LogP6.19
Rot. Bonds9

About 4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-non-2-enyl]cyclopent-2-en-1-one

4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-non-2-enyl]cyclopent-2-en-1-one (PubChem CID 59941513) has the molecular formula C20H36O2Si and a molecular weight of 336.59 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-non-2-enyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-non-2-enyl]cyclopent-2-en-1-one
PubChem CID59941513
Molecular FormulaC20H36O2Si
Molecular Weight336.59 g/mol
Exact Mass336.25
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-non-2-enyl]cyclopent-2-en-1-one
SMILESCCCCCC/C=C\CC1=CC(O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C20H36O2Si/c1-7-8-9-10-11-12-13-14-17-15-18(16-19(17)21)22-23(5,6)20(2,3)4/h12-13,15,18H,7-11,14,16H2,1-6H3/b13-12-
InChIKeyPQWLATDUKHCHDU-SEYXRHQNSA-N
XLogP6.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
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
(4R)-(+)-t-Butyldimethylsiloxy-2-cyclopenten-1-one
CID 2734530
2-(((Tert-butyldimethylsilyl)oxy)methyl)-2-cyclopentenone
CID 13161571
(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
3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylcyclopent-2-en-1-one
CID 10427154
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-hydroxyethyl]cyclopent-2-en-1-one
CID 11780145

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-non-2-enyl]cyclopent-2-en-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-non-2-enyl]cyclopent-2-en-1-one (CID 59941513) is 4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-non-2-enyl]cyclopent-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-non-2-enyl]cyclopent-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-non-2-enyl]cyclopent-2-en-1-one is CCCCCC/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-[(Z)-non-2-enyl]cyclopent-2-en-1-one?
The InChIKey is PQWLATDUKHCHDU-SEYXRHQNSA-N. The full InChI is InChI=1S/C20H36O2Si/c1-7-8-9-10-11-12-13-14-17-15-18(16-19(17)21)22-23(5,6)20(2,3)4/h12-13,15,18H,7-11,14,16H2,1-6H3/b13-12-.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-non-2-enyl]cyclopent-2-en-1-one?
4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-non-2-enyl]cyclopent-2-en-1-one has a molecular weight of 336.59 g/mol, XLogP of 6.19, 9 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-[(Z)-non-2-enyl]cyclopent-2-en-1-one is sourced from PubChem (CID 59941513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).