trimethylsilyl (E)-7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate

C26H46O4Si2 — CID 5375214

IUPACtrimethylsilyl (E)-7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate
SMILESCCCCCC(/C=C/C1C=CC(=O)C1C/C=C/CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C26H46O4Si2/c1-8-9-12-15-23(29-31(2,3)4)20-18-22-19-21-25(27)24(22)16-13-10-11-14-17-26(28)30-32(5,6)7/h10,13,18-24H,8-9,11-12,14-17H2,1-7H3/b13-10+,20-18+
InChIKeyXCBOGKQJBJFORT-YIGKYOOFSA-N
MW478.82 g/mol
LogP7.21
Rot. Bonds15

About trimethylsilyl (E)-7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate

trimethylsilyl (E)-7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate (PubChem CID 5375214) has the molecular formula C26H46O4Si2 and a molecular weight of 478.82 g/mol. Its IUPAC name is trimethylsilyl (E)-7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate.

Molecular Properties

Compound Nametrimethylsilyl (E)-7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate
PubChem CID5375214
Molecular FormulaC26H46O4Si2
Molecular Weight478.82 g/mol
Exact Mass478.29
IUPAC Nametrimethylsilyl (E)-7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate
SMILESCCCCCC(/C=C/C1C=CC(=O)C1C/C=C/CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C26H46O4Si2/c1-8-9-12-15-23(29-31(2,3)4)20-18-22-19-21-25(27)24(22)16-13-10-11-14-17-26(28)30-32(5,6)7/h10,13,18-24H,8-9,11-12,14-17H2,1-7H3/b13-10+,20-18+
InChIKeyXCBOGKQJBJFORT-YIGKYOOFSA-N
XLogP7.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.82
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (E)-7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate?
The IUPAC name of trimethylsilyl (E)-7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate (CID 5375214) is trimethylsilyl (E)-7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate.
What is the SMILES notation for trimethylsilyl (E)-7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate?
The canonical SMILES for trimethylsilyl (E)-7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate is CCCCCC(/C=C/C1C=CC(=O)C1C/C=C/CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (E)-7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate?
The InChIKey is XCBOGKQJBJFORT-YIGKYOOFSA-N. The full InChI is InChI=1S/C26H46O4Si2/c1-8-9-12-15-23(29-31(2,3)4)20-18-22-19-21-25(27)24(22)16-13-10-11-14-17-26(28)30-32(5,6)7/h10,13,18-24H,8-9,11-12,14-17H2,1-7H3/b13-10+,20-18+.
What are the key properties of trimethylsilyl (E)-7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate?
trimethylsilyl (E)-7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate has a molecular weight of 478.82 g/mol, XLogP of 7.21, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (E)-7-[2-oxo-5-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoate is sourced from PubChem (CID 5375214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).