trimethylsilyl 7-[5-ethoxyimino-2-(3-trimethylsilyloxyoct-1-enyl)cyclopenten-1-yl]heptanoate

C28H53NO4Si2 — CID 635451

IUPACtrimethylsilyl 7-[5-ethoxyimino-2-(3-trimethylsilyloxyoct-1-enyl)cyclopenten-1-yl]heptanoate
SMILESCCCCCC(C=CC1=C(CCCCCCC(=O)O[Si](C)(C)C)C(=NOCC)CC1)O[Si](C)(C)C
InChIInChI=1S/C28H53NO4Si2/c1-9-11-14-17-25(32-34(3,4)5)22-20-24-21-23-27(29-31-10-2)26(24)18-15-12-13-16-19-28(30)33-35(6,7)8/h20,22,25H,9-19,21,23H2,1-8H3
InChIKeyOHZXJEKTFQCOQY-UHFFFAOYSA-N
MW523.91 g/mol
LogP8.54
Rot. Bonds18

About trimethylsilyl 7-[5-ethoxyimino-2-(3-trimethylsilyloxyoct-1-enyl)cyclopenten-1-yl]heptanoate

trimethylsilyl 7-[5-ethoxyimino-2-(3-trimethylsilyloxyoct-1-enyl)cyclopenten-1-yl]heptanoate (PubChem CID 635451) has the molecular formula C28H53NO4Si2 and a molecular weight of 523.91 g/mol. Its IUPAC name is trimethylsilyl 7-[5-ethoxyimino-2-(3-trimethylsilyloxyoct-1-enyl)cyclopenten-1-yl]heptanoate.

Molecular Properties

Compound Nametrimethylsilyl 7-[5-ethoxyimino-2-(3-trimethylsilyloxyoct-1-enyl)cyclopenten-1-yl]heptanoate
PubChem CID635451
Molecular FormulaC28H53NO4Si2
Molecular Weight523.91 g/mol
Exact Mass523.35
IUPAC Nametrimethylsilyl 7-[5-ethoxyimino-2-(3-trimethylsilyloxyoct-1-enyl)cyclopenten-1-yl]heptanoate
SMILESCCCCCC(C=CC1=C(CCCCCCC(=O)O[Si](C)(C)C)C(=NOCC)CC1)O[Si](C)(C)C
InChIInChI=1S/C28H53NO4Si2/c1-9-11-14-17-25(32-34(3,4)5)22-20-24-21-23-27(29-31-10-2)26(24)18-15-12-13-16-19-28(30)33-35(6,7)8/h20,22,25H,9-19,21,23H2,1-8H3
InChIKeyOHZXJEKTFQCOQY-UHFFFAOYSA-N
XLogP8.54
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.91
LogP ≤ 58.54
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

trimethylsilyl 7-[(5E)-5-methoxyimino-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]heptanoate
CID 177404290
trimethylsilyl 7-[5-oxo-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]heptanoate
CID 5352365
methyl 3-[(5E)-5-methoxyimino-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]propanoate
CID 90475554
trimethylsilyl (Z)-7-[5-oxo-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoate
CID 21160102
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 (E,10S,13S)-10,13-bis(trimethylsilyloxy)icos-11-enoate
CID 10006194
methyl 7-[2-[(E,3S)-3-acetyloxyoct-1-enyl]-5-oxocyclopenten-1-yl]heptanoate
CID 90470265
trimethylsilyl (Z)-7-[(1S,2R,3R,5E)-5-ethoxyimino-3-trimethylsilyloxy-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate
CID 20845705
methyl (Z)-11-trimethylsilyloxyoctadec-9-enoate
CID 5366650
methyl (E)-13-trimethylsilyloxyoctadec-11-enoate
CID 10000118
trimethylsilyl icosanoate
CID 521648
methyl (E,9S)-9-[tert-butyl(dimethyl)silyl]oxy-11-(2-ethyl-3-oxocyclopenten-1-yl)undec-10-enoate
CID 56958097

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 7-[5-ethoxyimino-2-(3-trimethylsilyloxyoct-1-enyl)cyclopenten-1-yl]heptanoate?
The IUPAC name of trimethylsilyl 7-[5-ethoxyimino-2-(3-trimethylsilyloxyoct-1-enyl)cyclopenten-1-yl]heptanoate (CID 635451) is trimethylsilyl 7-[5-ethoxyimino-2-(3-trimethylsilyloxyoct-1-enyl)cyclopenten-1-yl]heptanoate.
What is the SMILES notation for trimethylsilyl 7-[5-ethoxyimino-2-(3-trimethylsilyloxyoct-1-enyl)cyclopenten-1-yl]heptanoate?
The canonical SMILES for trimethylsilyl 7-[5-ethoxyimino-2-(3-trimethylsilyloxyoct-1-enyl)cyclopenten-1-yl]heptanoate is CCCCCC(C=CC1=C(CCCCCCC(=O)O[Si](C)(C)C)C(=NOCC)CC1)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 7-[5-ethoxyimino-2-(3-trimethylsilyloxyoct-1-enyl)cyclopenten-1-yl]heptanoate?
The InChIKey is OHZXJEKTFQCOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H53NO4Si2/c1-9-11-14-17-25(32-34(3,4)5)22-20-24-21-23-27(29-31-10-2)26(24)18-15-12-13-16-19-28(30)33-35(6,7)8/h20,22,25H,9-19,21,23H2,1-8H3.
What are the key properties of trimethylsilyl 7-[5-ethoxyimino-2-(3-trimethylsilyloxyoct-1-enyl)cyclopenten-1-yl]heptanoate?
trimethylsilyl 7-[5-ethoxyimino-2-(3-trimethylsilyloxyoct-1-enyl)cyclopenten-1-yl]heptanoate has a molecular weight of 523.91 g/mol, XLogP of 8.54, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 7-[5-ethoxyimino-2-(3-trimethylsilyloxyoct-1-enyl)cyclopenten-1-yl]heptanoate is sourced from PubChem (CID 635451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).