trimethylsilyl 7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate

C26H48O4Si2 — CID 5352363

IUPACtrimethylsilyl 7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate
SMILESCCCCCC(/C=C/C1C=CC(=O)C1CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C26H48O4Si2/c1-8-9-12-15-23(29-31(2,3)4)20-18-22-19-21-25(27)24(22)16-13-10-11-14-17-26(28)30-32(5,6)7/h18-24H,8-17H2,1-7H3/b20-18+
InChIKeyFWQYNRGDLADIBR-CZIZESTLSA-N
MW480.84 g/mol
LogP7.43
Rot. Bonds16

About trimethylsilyl 7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate

trimethylsilyl 7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate (PubChem CID 5352363) has the molecular formula C26H48O4Si2 and a molecular weight of 480.84 g/mol. Its IUPAC name is trimethylsilyl 7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate.

Molecular Properties

Compound Nametrimethylsilyl 7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate
PubChem CID5352363
Molecular FormulaC26H48O4Si2
Molecular Weight480.84 g/mol
Exact Mass480.31
IUPAC Nametrimethylsilyl 7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate
SMILESCCCCCC(/C=C/C1C=CC(=O)C1CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C26H48O4Si2/c1-8-9-12-15-23(29-31(2,3)4)20-18-22-19-21-25(27)24(22)16-13-10-11-14-17-26(28)30-32(5,6)7/h18-24H,8-17H2,1-7H3/b20-18+
InChIKeyFWQYNRGDLADIBR-CZIZESTLSA-N
XLogP7.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.84
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze trimethylsilyl 7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate with MolForge

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Related Compounds

Pga1
CID 5281912
8-iso-PGA1
CID 6473771
Prostaglandin A-1
CID 157009857
7-[2-(3-Hydroxyoct-1-enyl)-5-oxocyclopent-3-en-1-yl]heptanoic acid
CID 4952
15-epi-PGA1
CID 5283050
15-Hydroxy-9-ketoprosta-10,13-dienoic acid
CID 67559615
7-[(1R,2S)-2-[(3S)-3-hydroxyoct-1-enyl]-5-oxo-1-cyclopent-3-enyl]heptanoic acid
CID 26487
(13E)-(15S)-15-Hydroxy-9-oxoprosta-10,13-dienoate
CID 5280714
(Z)-7-[(1R,2R)-2-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
CID 67703190
methyl (Z)-7-[(1R,2R)-2-[4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoate
CID 141575145
[1-[(1S)-5-[(Z)-7-ethoxy-7-oxohept-2-enyl]-4-oxocyclopent-2-en-1-yl]-4-fluorooctan-3-yl]oxy-dimethylsilanylium
CID 145817520
methyl 7-[(1R,2R)-2-[4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoate
CID 154394578

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate?
The IUPAC name of trimethylsilyl 7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate (CID 5352363) is trimethylsilyl 7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate.
What is the SMILES notation for trimethylsilyl 7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate?
The canonical SMILES for trimethylsilyl 7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate is CCCCCC(/C=C/C1C=CC(=O)C1CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate?
The InChIKey is FWQYNRGDLADIBR-CZIZESTLSA-N. The full InChI is InChI=1S/C26H48O4Si2/c1-8-9-12-15-23(29-31(2,3)4)20-18-22-19-21-25(27)24(22)16-13-10-11-14-17-26(28)30-32(5,6)7/h18-24H,8-17H2,1-7H3/b20-18+.
What are the key properties of trimethylsilyl 7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate?
trimethylsilyl 7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate has a molecular weight of 480.84 g/mol, XLogP of 7.43, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate is sourced from PubChem (CID 5352363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).