trimethylsilyl (E)-13-methyltetradec-9-enoate

C18H36O2Si — CID 91696398

IUPACtrimethylsilyl (E)-13-methyltetradec-9-enoate
SMILESCC(C)CC/C=C/CCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C18H36O2Si/c1-17(2)15-13-11-9-7-6-8-10-12-14-16-18(19)20-21(3,4)5/h9,11,17H,6-8,10,12-16H2,1-5H3/b11-9+
InChIKeyUOJPTILZERGJJT-PKNBQFBNSA-N
MW312.57 g/mol
LogP6.09
Rot. Bonds12

About trimethylsilyl (E)-13-methyltetradec-9-enoate

trimethylsilyl (E)-13-methyltetradec-9-enoate (PubChem CID 91696398) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is trimethylsilyl (E)-13-methyltetradec-9-enoate.

Molecular Properties

Compound Nametrimethylsilyl (E)-13-methyltetradec-9-enoate
PubChem CID91696398
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Nametrimethylsilyl (E)-13-methyltetradec-9-enoate
SMILESCC(C)CC/C=C/CCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C18H36O2Si/c1-17(2)15-13-11-9-7-6-8-10-12-14-16-18(19)20-21(3,4)5/h9,11,17H,6-8,10,12-16H2,1-5H3/b11-9+
InChIKeyUOJPTILZERGJJT-PKNBQFBNSA-N
XLogP6.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 56.09
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 (E)-13-methyltetradec-9-enoate?
The IUPAC name of trimethylsilyl (E)-13-methyltetradec-9-enoate (CID 91696398) is trimethylsilyl (E)-13-methyltetradec-9-enoate.
What is the SMILES notation for trimethylsilyl (E)-13-methyltetradec-9-enoate?
The canonical SMILES for trimethylsilyl (E)-13-methyltetradec-9-enoate is CC(C)CC/C=C/CCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (E)-13-methyltetradec-9-enoate?
The InChIKey is UOJPTILZERGJJT-PKNBQFBNSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-17(2)15-13-11-9-7-6-8-10-12-14-16-18(19)20-21(3,4)5/h9,11,17H,6-8,10,12-16H2,1-5H3/b11-9+.
What are the key properties of trimethylsilyl (E)-13-methyltetradec-9-enoate?
trimethylsilyl (E)-13-methyltetradec-9-enoate has a molecular weight of 312.57 g/mol, XLogP of 6.09, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (E)-13-methyltetradec-9-enoate is sourced from PubChem (CID 91696398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).