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

C23H44O2Si2 — CID 20700488

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one
SMILESCCCCCC/C=C(/CC1=CC(O[Si](C)(C)C(C)(C)C)CC1=O)[Si](C)(C)C
InChIInChI=1S/C23H44O2Si2/c1-10-11-12-13-14-15-21(26(5,6)7)17-19-16-20(18-22(19)24)25-27(8,9)23(2,3)4/h15-16,20H,10-14,17-18H2,1-9H3/b21-15-
InChIKeyPTRHNIJWYXBSBK-QNGOZBTKSA-N
MW408.78 g/mol
LogP7.44
Rot. Bonds10

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

4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one (PubChem CID 20700488) has the molecular formula C23H44O2Si2 and a molecular weight of 408.78 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one
PubChem CID20700488
Molecular FormulaC23H44O2Si2
Molecular Weight408.78 g/mol
Exact Mass408.29
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one
SMILESCCCCCC/C=C(/CC1=CC(O[Si](C)(C)C(C)(C)C)CC1=O)[Si](C)(C)C
InChIInChI=1S/C23H44O2Si2/c1-10-11-12-13-14-15-21(26(5,6)7)17-19-16-20(18-22(19)24)25-27(8,9)23(2,3)4/h15-16,20H,10-14,17-18H2,1-9H3/b21-15-
InChIKeyPTRHNIJWYXBSBK-QNGOZBTKSA-N
XLogP7.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.78
LogP ≤ 57.44
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'}

Analyze 4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one with MolForge

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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
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
(6R,11Z,13S)-2-methyl-6-triethylsilyloxy-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one
CID 5471930
(5Z)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropylidene)cyclopent-2-en-1-one
CID 9816792

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one (CID 20700488) is 4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one is CCCCCC/C=C(/CC1=CC(O[Si](C)(C)C(C)(C)C)CC1=O)[Si](C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one?
The InChIKey is PTRHNIJWYXBSBK-QNGOZBTKSA-N. The full InChI is InChI=1S/C23H44O2Si2/c1-10-11-12-13-14-15-21(26(5,6)7)17-19-16-20(18-22(19)24)25-27(8,9)23(2,3)4/h15-16,20H,10-14,17-18H2,1-9H3/b21-15-.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one?
4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one has a molecular weight of 408.78 g/mol, XLogP of 7.44, 10 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)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one is sourced from PubChem (CID 20700488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).