trimethylsilyl (Z)-tetracos-15-enoate

C27H54O2Si — CID 91696379

IUPACtrimethylsilyl (Z)-tetracos-15-enoate
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C27H54O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29-30(2,3)4/h12-13H,5-11,14-26H2,1-4H3/b13-12-
InChIKeyOQABBMMAIBXADF-SEYXRHQNSA-N
MW438.81 g/mol
LogP9.74
Rot. Bonds22

About trimethylsilyl (Z)-tetracos-15-enoate

trimethylsilyl (Z)-tetracos-15-enoate (PubChem CID 91696379) has the molecular formula C27H54O2Si and a molecular weight of 438.81 g/mol. Its IUPAC name is trimethylsilyl (Z)-tetracos-15-enoate.

Molecular Properties

Compound Nametrimethylsilyl (Z)-tetracos-15-enoate
PubChem CID91696379
Molecular FormulaC27H54O2Si
Molecular Weight438.81 g/mol
Exact Mass438.39
IUPAC Nametrimethylsilyl (Z)-tetracos-15-enoate
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C27H54O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29-30(2,3)4/h12-13H,5-11,14-26H2,1-4H3/b13-12-
InChIKeyOQABBMMAIBXADF-SEYXRHQNSA-N
XLogP9.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.81
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (Z)-tetracos-15-enoate?
The IUPAC name of trimethylsilyl (Z)-tetracos-15-enoate (CID 91696379) is trimethylsilyl (Z)-tetracos-15-enoate.
What is the SMILES notation for trimethylsilyl (Z)-tetracos-15-enoate?
The canonical SMILES for trimethylsilyl (Z)-tetracos-15-enoate is CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (Z)-tetracos-15-enoate?
The InChIKey is OQABBMMAIBXADF-SEYXRHQNSA-N. The full InChI is InChI=1S/C27H54O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29-30(2,3)4/h12-13H,5-11,14-26H2,1-4H3/b13-12-.
What are the key properties of trimethylsilyl (Z)-tetracos-15-enoate?
trimethylsilyl (Z)-tetracos-15-enoate has a molecular weight of 438.81 g/mol, XLogP of 9.74, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (Z)-tetracos-15-enoate is sourced from PubChem (CID 91696379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).