trimethylsilyl (Z)-7-[(1R)-5-oxo-3-trimethylsilyloxy-2-[(3S)-3-trimethylsilyloxyoctyl]cyclopent-2-en-1-yl]hept-5-enoate

C29H56O5Si3 — CID 21160920

IUPACtrimethylsilyl (Z)-7-[(1R)-5-oxo-3-trimethylsilyloxy-2-[(3S)-3-trimethylsilyloxyoctyl]cyclopent-2-en-1-yl]hept-5-enoate
SMILESCCCCC[C@@H](CCC1=C(O[Si](C)(C)C)CC(=O)[C@@H]1C/C=C\CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C29H56O5Si3/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/h13,16,24-25H,11-12,14-15,17-23H2,1-10H3/b16-13-/t24-,25+/m0/s1
InChIKeyKDEOZWNLNKXDGE-SFEQWWFUSA-N
MW569.02 g/mol
LogP8.76
Rot. Bonds18

About trimethylsilyl (Z)-7-[(1R)-5-oxo-3-trimethylsilyloxy-2-[(3S)-3-trimethylsilyloxyoctyl]cyclopent-2-en-1-yl]hept-5-enoate

trimethylsilyl (Z)-7-[(1R)-5-oxo-3-trimethylsilyloxy-2-[(3S)-3-trimethylsilyloxyoctyl]cyclopent-2-en-1-yl]hept-5-enoate (PubChem CID 21160920) has the molecular formula C29H56O5Si3 and a molecular weight of 569.02 g/mol. Its IUPAC name is trimethylsilyl (Z)-7-[(1R)-5-oxo-3-trimethylsilyloxy-2-[(3S)-3-trimethylsilyloxyoctyl]cyclopent-2-en-1-yl]hept-5-enoate.

Molecular Properties

Compound Nametrimethylsilyl (Z)-7-[(1R)-5-oxo-3-trimethylsilyloxy-2-[(3S)-3-trimethylsilyloxyoctyl]cyclopent-2-en-1-yl]hept-5-enoate
PubChem CID21160920
Molecular FormulaC29H56O5Si3
Molecular Weight569.02 g/mol
Exact Mass568.34
IUPAC Nametrimethylsilyl (Z)-7-[(1R)-5-oxo-3-trimethylsilyloxy-2-[(3S)-3-trimethylsilyloxyoctyl]cyclopent-2-en-1-yl]hept-5-enoate
SMILESCCCCC[C@@H](CCC1=C(O[Si](C)(C)C)CC(=O)[C@@H]1C/C=C\CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C29H56O5Si3/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/h13,16,24-25H,11-12,14-15,17-23H2,1-10H3/b16-13-/t24-,25+/m0/s1
InChIKeyKDEOZWNLNKXDGE-SFEQWWFUSA-N
XLogP8.76
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.02
LogP ≤ 58.76
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'}

Analyze trimethylsilyl (Z)-7-[(1R)-5-oxo-3-trimethylsilyloxy-2-[(3S)-3-trimethylsilyloxyoctyl]cyclopent-2-en-1-yl]hept-5-enoate with MolForge

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Launch Full Analysis

Related Compounds

trimethylsilyl (Z)-7-[5-oxo-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoate
CID 21160102
trimethylsilyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
CID 5366427
trimethylsilyl (E)-octadec-11-enoate
CID 5366419
ethyl (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoate
CID 6441673
(Z)-7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxyoctyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid
CID 70390007
trimethylsilyl (E)-7-[(1R,2R,5E)-5-methoxyimino-3-trimethylsilyloxy-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate
CID 21160097
trimethylsilyl (13Z,16Z)-docosa-13,16-dienoate
CID 91696446
methyl 8-trimethylsilyloxyhexadecanoate
CID 14454572
methyl 12-trimethylsilyloxyoctadecanoate
CID 604384
trimethylsilyl (Z)-7-[(1S,2R,3R,5E)-5-ethoxyimino-3-trimethylsilyloxy-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate
CID 20845705
trimethylsilyl (Z)-7-[(1R,2E,5R)-2-ethoxyimino-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate
CID 91752989
methyl 7-[3-hydroxy-2-(3-hydroxyoct-1-enyl)-5-oxocyclopentyl]hept-5-enoate
CID 53394160

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (Z)-7-[(1R)-5-oxo-3-trimethylsilyloxy-2-[(3S)-3-trimethylsilyloxyoctyl]cyclopent-2-en-1-yl]hept-5-enoate?
The IUPAC name of trimethylsilyl (Z)-7-[(1R)-5-oxo-3-trimethylsilyloxy-2-[(3S)-3-trimethylsilyloxyoctyl]cyclopent-2-en-1-yl]hept-5-enoate (CID 21160920) is trimethylsilyl (Z)-7-[(1R)-5-oxo-3-trimethylsilyloxy-2-[(3S)-3-trimethylsilyloxyoctyl]cyclopent-2-en-1-yl]hept-5-enoate.
What is the SMILES notation for trimethylsilyl (Z)-7-[(1R)-5-oxo-3-trimethylsilyloxy-2-[(3S)-3-trimethylsilyloxyoctyl]cyclopent-2-en-1-yl]hept-5-enoate?
The canonical SMILES for trimethylsilyl (Z)-7-[(1R)-5-oxo-3-trimethylsilyloxy-2-[(3S)-3-trimethylsilyloxyoctyl]cyclopent-2-en-1-yl]hept-5-enoate is CCCCC[C@@H](CCC1=C(O[Si](C)(C)C)CC(=O)[C@@H]1C/C=C\CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (Z)-7-[(1R)-5-oxo-3-trimethylsilyloxy-2-[(3S)-3-trimethylsilyloxyoctyl]cyclopent-2-en-1-yl]hept-5-enoate?
The InChIKey is KDEOZWNLNKXDGE-SFEQWWFUSA-N. The full InChI is InChI=1S/C29H56O5Si3/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/h13,16,24-25H,11-12,14-15,17-23H2,1-10H3/b16-13-/t24-,25+/m0/s1.
What are the key properties of trimethylsilyl (Z)-7-[(1R)-5-oxo-3-trimethylsilyloxy-2-[(3S)-3-trimethylsilyloxyoctyl]cyclopent-2-en-1-yl]hept-5-enoate?
trimethylsilyl (Z)-7-[(1R)-5-oxo-3-trimethylsilyloxy-2-[(3S)-3-trimethylsilyloxyoctyl]cyclopent-2-en-1-yl]hept-5-enoate has a molecular weight of 569.02 g/mol, XLogP of 8.76, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (Z)-7-[(1R)-5-oxo-3-trimethylsilyloxy-2-[(3S)-3-trimethylsilyloxyoctyl]cyclopent-2-en-1-yl]hept-5-enoate is sourced from PubChem (CID 21160920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).