trimethylsilyl 7-[5-oxo-3-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate

C29H58O5Si3 — CID 5376480

IUPACtrimethylsilyl 7-[5-oxo-3-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate
SMILESCCCCCC(/C=C/C1C(O[Si](C)(C)C)CC(=O)C1CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C29H58O5Si3/c1-11-12-15-18-24(32-35(2,3)4)21-22-26-25(27(30)23-28(26)33-36(5,6)7)19-16-13-14-17-20-29(31)34-37(8,9)10/h21-22,24-26,28H,11-20,23H2,1-10H3/b22-21+
InChIKeyVGJFFXDXFMPCDW-QURGRASLSA-N
MW571.04 g/mol
LogP8.49
Rot. Bonds18

About trimethylsilyl 7-[5-oxo-3-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate

trimethylsilyl 7-[5-oxo-3-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate (PubChem CID 5376480) has the molecular formula C29H58O5Si3 and a molecular weight of 571.04 g/mol. Its IUPAC name is trimethylsilyl 7-[5-oxo-3-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate.

Molecular Properties

Compound Nametrimethylsilyl 7-[5-oxo-3-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate
PubChem CID5376480
Molecular FormulaC29H58O5Si3
Molecular Weight571.04 g/mol
Exact Mass570.36
IUPAC Nametrimethylsilyl 7-[5-oxo-3-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate
SMILESCCCCCC(/C=C/C1C(O[Si](C)(C)C)CC(=O)C1CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C29H58O5Si3/c1-11-12-15-18-24(32-35(2,3)4)21-22-26-25(27(30)23-28(26)33-36(5,6)7)19-16-13-14-17-20-29(31)34-37(8,9)10/h21-22,24-26,28H,11-20,23H2,1-10H3/b22-21+
InChIKeyVGJFFXDXFMPCDW-QURGRASLSA-N
XLogP8.49
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.04
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Alprostadil
CID 5280723
Pgd1
CID 5280936
(8beta,11alpha,13E,15S)-11,15-Dihydroxy-9-oxoprost-13-en-1-oic acid
CID 5283212
15-Epiprostaglandin E1
CID 5283056
8-iso Prostaglandin E1
CID 214
7-[3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid
CID 5353401
7-[(1S,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid
CID 3246906
20a,20b-dihomo-9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoic acid
CID 16061106
2,3-dinor-PGE1
CID 16061101
Prost-13-en-1-oic acid, 11,15,20-trihydroxy-9-oxo-, (11alpha,13E,15S)-
CID 6443810
7-[(1R,2S,3R)-3-hydroxy-2-[(Z,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid
CID 6604280
15-methyl-15S-Prostaglandin E1
CID 5283057

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 7-[5-oxo-3-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate?
The IUPAC name of trimethylsilyl 7-[5-oxo-3-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate (CID 5376480) is trimethylsilyl 7-[5-oxo-3-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate.
What is the SMILES notation for trimethylsilyl 7-[5-oxo-3-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate?
The canonical SMILES for trimethylsilyl 7-[5-oxo-3-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate is CCCCCC(/C=C/C1C(O[Si](C)(C)C)CC(=O)C1CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 7-[5-oxo-3-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate?
The InChIKey is VGJFFXDXFMPCDW-QURGRASLSA-N. The full InChI is InChI=1S/C29H58O5Si3/c1-11-12-15-18-24(32-35(2,3)4)21-22-26-25(27(30)23-28(26)33-36(5,6)7)19-16-13-14-17-20-29(31)34-37(8,9)10/h21-22,24-26,28H,11-20,23H2,1-10H3/b22-21+.
What are the key properties of trimethylsilyl 7-[5-oxo-3-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate?
trimethylsilyl 7-[5-oxo-3-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate has a molecular weight of 571.04 g/mol, XLogP of 8.49, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 7-[5-oxo-3-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate is sourced from PubChem (CID 5376480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).