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

C25H50O5Si2 — CID 612571

IUPACmethyl 5-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pentanoate
SMILESCCCCCC(=O)CCC1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CCCCC(=O)OC
InChIInChI=1S/C25H50O5Si2/c1-9-10-11-14-20(26)17-18-22-21(15-12-13-16-25(27)28-2)23(29-31(3,4)5)19-24(22)30-32(6,7)8/h21-24H,9-19H2,1-8H3
InChIKeyXQZSXMGXOROYAN-UHFFFAOYSA-N
MW486.84 g/mol
LogP6.73
Rot. Bonds16

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

methyl 5-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pentanoate (PubChem CID 612571) has the molecular formula C25H50O5Si2 and a molecular weight of 486.84 g/mol. Its IUPAC name is methyl 5-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pentanoate.

Molecular Properties

Compound Namemethyl 5-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pentanoate
PubChem CID612571
Molecular FormulaC25H50O5Si2
Molecular Weight486.84 g/mol
Exact Mass486.32
IUPAC Namemethyl 5-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pentanoate
SMILESCCCCCC(=O)CCC1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CCCCC(=O)OC
InChIInChI=1S/C25H50O5Si2/c1-9-10-11-14-20(26)17-18-22-21(15-12-13-16-25(27)28-2)23(29-31(3,4)5)19-24(22)30-32(6,7)8/h21-24H,9-19H2,1-8H3
InChIKeyXQZSXMGXOROYAN-UHFFFAOYSA-N
XLogP6.73
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.84
LogP ≤ 56.73
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'}

Analyze methyl 5-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pentanoate with MolForge

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Related Compounds

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, 7,9,13-tris[(trimethylsilyl)oxy]-, methyl ester, (9alpha)-
CID 599798
Methyl 3-(2-(3-oxooctyl)-3,5-bis[(trimethylsilyl)oxy]cyclopentyl)propanoate
CID 620294
Methyl 8-(2-(3-methoxy-3-oxopropyl)-3,5-bis[(trimethylsilyl)oxy]cyclopentyl)-6-oxooctanoate
CID 620295
Cyclopentaneheptanoic acid, 3,5-dihydroxy-2-[(trimethylsiloxy)methyl]-, methyl ester, diacetate
CID 628211
methyl 2-[(1R,2S,3S,5R)-2-propyl-3,5-bis(trimethylsilyloxy)cyclopentyl]acetate
CID 101834150
methyl 2-[(1R,2R,3S,5R)-2-(7-methoxyheptyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]acetate
CID 101834154
methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(3-oxopropyl)cyclopentyl]heptanoate
CID 11307071
methyl 7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(3-oxopropyl)cyclopentyl]heptanoate
CID 12016389
Methyl 5-[3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]pentanoate
CID 21507872
Methyl 7-[3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]heptanoate
CID 21507948

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pentanoate?
The IUPAC name of methyl 5-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pentanoate (CID 612571) is methyl 5-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pentanoate.
What is the SMILES notation for methyl 5-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pentanoate?
The canonical SMILES for methyl 5-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pentanoate is CCCCCC(=O)CCC1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CCCCC(=O)OC.
What is the InChIKey of methyl 5-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pentanoate?
The InChIKey is XQZSXMGXOROYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O5Si2/c1-9-10-11-14-20(26)17-18-22-21(15-12-13-16-25(27)28-2)23(29-31(3,4)5)19-24(22)30-32(6,7)8/h21-24H,9-19H2,1-8H3.
What are the key properties of methyl 5-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pentanoate?
methyl 5-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pentanoate has a molecular weight of 486.84 g/mol, XLogP of 6.73, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pentanoate is sourced from PubChem (CID 612571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).