methyl 3-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]propanoate

C23H46O5Si2 — CID 620294

IUPACmethyl 3-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]propanoate
SMILESCCCCCC(=O)CCC1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CCC(=O)OC
InChIInChI=1S/C23H46O5Si2/c1-9-10-11-12-18(24)13-14-19-20(15-16-23(25)26-2)22(28-30(6,7)8)17-21(19)27-29(3,4)5/h19-22H,9-17H2,1-8H3
InChIKeySKMOAVJGKVCFNA-UHFFFAOYSA-N
MW458.79 g/mol
LogP5.95
Rot. Bonds14

About methyl 3-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]propanoate

methyl 3-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]propanoate (PubChem CID 620294) has the molecular formula C23H46O5Si2 and a molecular weight of 458.79 g/mol. Its IUPAC name is methyl 3-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]propanoate
PubChem CID620294
Molecular FormulaC23H46O5Si2
Molecular Weight458.79 g/mol
Exact Mass458.29
IUPAC Namemethyl 3-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]propanoate
SMILESCCCCCC(=O)CCC1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CCC(=O)OC
InChIInChI=1S/C23H46O5Si2/c1-9-10-11-12-18(24)13-14-19-20(15-16-23(25)26-2)22(28-30(6,7)8)17-21(19)27-29(3,4)5/h19-22H,9-17H2,1-8H3
InChIKeySKMOAVJGKVCFNA-UHFFFAOYSA-N
XLogP5.95
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.79
LogP ≤ 55.95
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'}

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Related Compounds

Cyclopentanepropanoic acid, 3,5-bis(acetyloxy)-2-[3,8-bis(acetyloxy)octyl]-, methyl ester
CID 629306
(3S,3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxyoctyl]-3-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 56628355
(3aS,4S,5S,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooctyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 56975593
(3R,3aS,4S,5S,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxyoctyl]-3-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 70430627
(3AR,4S,5R,6AS)-5-((Tert-butyldimethylsilyl)oxy)-4-(((tert-butyldimethylsilyl)oxy)methyl)hexahydro-2H-cyclopenta[B]furan-2-one
CID 11795287
(3aR,4S,5R,6aS)-5-trimethylsilyloxy-4-(trimethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 13690082
(3aR,4S,5R,6aS)-5-triethylsilyloxy-4-(triethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 14216160
methyl (1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropyl)-5-oxocyclopentane-1-carboxylate
CID 134906162
methyl 6-[(1S,2S,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopentyl]hexanoate
CID 164667811
13,14-Dihydro-15-keto-PGF-1A, TMS
CID 91752938
Prostan-1-oic acid, 6,9-epoxy-11,15-bis[(trimethylsilyl)oxy]-, methyl ester, (15S)-
CID 582337
Prostan-1-oic acid, 7,9,13-tris[(trimethylsilyl)oxy]-, methyl ester, (9alpha)-
CID 599798

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]propanoate?
The IUPAC name of methyl 3-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]propanoate (CID 620294) is methyl 3-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]propanoate.
What is the SMILES notation for methyl 3-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]propanoate?
The canonical SMILES for methyl 3-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]propanoate is CCCCCC(=O)CCC1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CCC(=O)OC.
What is the InChIKey of methyl 3-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]propanoate?
The InChIKey is SKMOAVJGKVCFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O5Si2/c1-9-10-11-12-18(24)13-14-19-20(15-16-23(25)26-2)22(28-30(6,7)8)17-21(19)27-29(3,4)5/h19-22H,9-17H2,1-8H3.
What are the key properties of methyl 3-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]propanoate?
methyl 3-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]propanoate has a molecular weight of 458.79 g/mol, XLogP of 5.95, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]propanoate is sourced from PubChem (CID 620294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).