trimethylsilyl 7-[(1R,2R,3R,5S)-2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]heptanoate

C29H60O5Si3 — CID 91752938

IUPACtrimethylsilyl 7-[(1R,2R,3R,5S)-2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]heptanoate
SMILESCCCCCC(=O)CC[C@@H]1[C@@H](CCCCCCC(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C
InChIInChI=1S/C29H60O5Si3/c1-11-12-15-18-24(30)21-22-26-25(19-16-13-14-17-20-29(31)34-37(8,9)10)27(32-35(2,3)4)23-28(26)33-36(5,6)7/h25-28H,11-23H2,1-10H3/t25-,26-,27+,28-/m1/s1
InChIKeyIVVBRCXXRFTEPI-ZZXHUEHTSA-N
MW573.05 g/mol
LogP8.71
Rot. Bonds19

About trimethylsilyl 7-[(1R,2R,3R,5S)-2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]heptanoate

trimethylsilyl 7-[(1R,2R,3R,5S)-2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]heptanoate (PubChem CID 91752938) has the molecular formula C29H60O5Si3 and a molecular weight of 573.05 g/mol. Its IUPAC name is trimethylsilyl 7-[(1R,2R,3R,5S)-2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]heptanoate.

Molecular Properties

Compound Nametrimethylsilyl 7-[(1R,2R,3R,5S)-2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]heptanoate
PubChem CID91752938
Molecular FormulaC29H60O5Si3
Molecular Weight573.05 g/mol
Exact Mass572.37
IUPAC Nametrimethylsilyl 7-[(1R,2R,3R,5S)-2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]heptanoate
SMILESCCCCCC(=O)CC[C@@H]1[C@@H](CCCCCCC(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C
InChIInChI=1S/C29H60O5Si3/c1-11-12-15-18-24(30)21-22-26-25(19-16-13-14-17-20-29(31)34-37(8,9)10)27(32-35(2,3)4)23-28(26)33-36(5,6)7/h25-28H,11-23H2,1-10H3/t25-,26-,27+,28-/m1/s1
InChIKeyIVVBRCXXRFTEPI-ZZXHUEHTSA-N
XLogP8.71
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.05
LogP ≤ 58.71
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 trimethylsilyl 7-[(1R,2R,3R,5S)-2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]heptanoate with MolForge

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Related Compounds

13,14-dihydro-15-keto-PGF1alpha
CID 16061100
9alpha,11alpha-Dihydroxy-15-oxoprostan-1-oate
CID 35022418
Prostan-1-oic acid, 7,9,13-tris[(trimethylsilyl)oxy]-, methyl ester, (9alpha)-
CID 599798
Methyl 5-(2-(3-oxooctyl)-3,5-bis[(trimethylsilyl)oxy]cyclopentyl)pentanoate
CID 612571
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
7-[3,5-Dihydroxy-2-(3-oxooctyl)cyclopentyl]heptanoic acid
CID 21507951

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 7-[(1R,2R,3R,5S)-2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]heptanoate?
The IUPAC name of trimethylsilyl 7-[(1R,2R,3R,5S)-2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]heptanoate (CID 91752938) is trimethylsilyl 7-[(1R,2R,3R,5S)-2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]heptanoate.
What is the SMILES notation for trimethylsilyl 7-[(1R,2R,3R,5S)-2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]heptanoate?
The canonical SMILES for trimethylsilyl 7-[(1R,2R,3R,5S)-2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]heptanoate is CCCCCC(=O)CC[C@@H]1[C@@H](CCCCCCC(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 7-[(1R,2R,3R,5S)-2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]heptanoate?
The InChIKey is IVVBRCXXRFTEPI-ZZXHUEHTSA-N. The full InChI is InChI=1S/C29H60O5Si3/c1-11-12-15-18-24(30)21-22-26-25(19-16-13-14-17-20-29(31)34-37(8,9)10)27(32-35(2,3)4)23-28(26)33-36(5,6)7/h25-28H,11-23H2,1-10H3/t25-,26-,27+,28-/m1/s1.
What are the key properties of trimethylsilyl 7-[(1R,2R,3R,5S)-2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]heptanoate?
trimethylsilyl 7-[(1R,2R,3R,5S)-2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]heptanoate has a molecular weight of 573.05 g/mol, XLogP of 8.71, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 7-[(1R,2R,3R,5S)-2-(3-oxooctyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]heptanoate is sourced from PubChem (CID 91752938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).