methyl 7-[(1R,5S)-2-oxo-5-[(E,3R)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate

C24H42O4Si — CID 6428805

IUPACmethyl 7-[(1R,5S)-2-oxo-5-[(E,3R)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate
SMILESCCCCC[C@H](/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C24H42O4Si/c1-6-7-10-13-21(28-29(3,4)5)18-16-20-17-19-23(25)22(20)14-11-8-9-12-15-24(26)27-2/h16-22H,6-15H2,1-5H3/b18-16+/t20-,21+,22+/m0/s1
InChIKeyLEEKIWQCOFKZII-LTLWPOLISA-N
MW422.68 g/mol
LogP6.23
Rot. Bonds15

About methyl 7-[(1R,5S)-2-oxo-5-[(E,3R)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate

methyl 7-[(1R,5S)-2-oxo-5-[(E,3R)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate (PubChem CID 6428805) has the molecular formula C24H42O4Si and a molecular weight of 422.68 g/mol. Its IUPAC name is methyl 7-[(1R,5S)-2-oxo-5-[(E,3R)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate.

Molecular Properties

Compound Namemethyl 7-[(1R,5S)-2-oxo-5-[(E,3R)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate
PubChem CID6428805
Molecular FormulaC24H42O4Si
Molecular Weight422.68 g/mol
Exact Mass422.29
IUPAC Namemethyl 7-[(1R,5S)-2-oxo-5-[(E,3R)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate
SMILESCCCCC[C@H](/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C24H42O4Si/c1-6-7-10-13-21(28-29(3,4)5)18-16-20-17-19-23(25)22(20)14-11-8-9-12-15-24(26)27-2/h16-22H,6-15H2,1-5H3/b18-16+/t20-,21+,22+/m0/s1
InChIKeyLEEKIWQCOFKZII-LTLWPOLISA-N
XLogP6.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.68
LogP ≤ 56.23
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 methyl 7-[(1R,5S)-2-oxo-5-[(E,3R)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate with MolForge

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Launch Full Analysis

Related Compounds

Pga1
CID 5281912
8-iso-PGA1
CID 6473771
Prostaglandin A1 ethyl ester
CID 12149511
Prostaglandin A-1
CID 157009857
Prostaglandin A1 methyl ester
CID 10427969
7-[2-(3-Hydroxyoct-1-enyl)-5-oxocyclopent-3-en-1-yl]heptanoic acid
CID 4952
15-epi-PGA1
CID 5283050
9-oxo-15S-Hydroxy-prosta-10,13E-dien-1-oic acid, ethyl ester
CID 132282630
methyl 8-[(1S,5R)-4-oxo-5-[(E)-4-oxopent-2-enyl]cyclopent-2-en-1-yl]octanoate
CID 162932845
(R)-Methyl 7-(3-((tert-butyldimethylsilyl)oxy)-5-oxocyclopent-1-en-1-yl)heptanoate
CID 11024659
Methyl 7-(5-oxo-3-((triethylsilyl)oxy)cyclopent-1-en-1-yl)heptanoate
CID 10991861
15-Hydroxy-9-ketoprosta-10,13-dienoic acid
CID 67559615

Frequently Asked Questions

What is the IUPAC name of methyl 7-[(1R,5S)-2-oxo-5-[(E,3R)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate?
The IUPAC name of methyl 7-[(1R,5S)-2-oxo-5-[(E,3R)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate (CID 6428805) is methyl 7-[(1R,5S)-2-oxo-5-[(E,3R)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate.
What is the SMILES notation for methyl 7-[(1R,5S)-2-oxo-5-[(E,3R)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate?
The canonical SMILES for methyl 7-[(1R,5S)-2-oxo-5-[(E,3R)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate is CCCCC[C@H](/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl 7-[(1R,5S)-2-oxo-5-[(E,3R)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate?
The InChIKey is LEEKIWQCOFKZII-LTLWPOLISA-N. The full InChI is InChI=1S/C24H42O4Si/c1-6-7-10-13-21(28-29(3,4)5)18-16-20-17-19-23(25)22(20)14-11-8-9-12-15-24(26)27-2/h16-22H,6-15H2,1-5H3/b18-16+/t20-,21+,22+/m0/s1.
What are the key properties of methyl 7-[(1R,5S)-2-oxo-5-[(E,3R)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate?
methyl 7-[(1R,5S)-2-oxo-5-[(E,3R)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate has a molecular weight of 422.68 g/mol, XLogP of 6.23, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[(1R,5S)-2-oxo-5-[(E,3R)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]heptanoate is sourced from PubChem (CID 6428805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).