trimethylsilyl (E)-11-methyloctadec-12-enoate

C22H44O2Si — CID 91692540

IUPACtrimethylsilyl (E)-11-methyloctadec-12-enoate
SMILESCCCCC/C=C/C(C)CCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C22H44O2Si/c1-6-7-8-12-15-18-21(2)19-16-13-10-9-11-14-17-20-22(23)24-25(3,4)5/h15,18,21H,6-14,16-17,19-20H2,1-5H3/b18-15+
InChIKeyHACTUKFWBMZTNL-OBGWFSINSA-N
MW368.68 g/mol
LogP7.65
Rot. Bonds16

About trimethylsilyl (E)-11-methyloctadec-12-enoate

trimethylsilyl (E)-11-methyloctadec-12-enoate (PubChem CID 91692540) has the molecular formula C22H44O2Si and a molecular weight of 368.68 g/mol. Its IUPAC name is trimethylsilyl (E)-11-methyloctadec-12-enoate.

Molecular Properties

Compound Nametrimethylsilyl (E)-11-methyloctadec-12-enoate
PubChem CID91692540
Molecular FormulaC22H44O2Si
Molecular Weight368.68 g/mol
Exact Mass368.31
IUPAC Nametrimethylsilyl (E)-11-methyloctadec-12-enoate
SMILESCCCCC/C=C/C(C)CCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C22H44O2Si/c1-6-7-8-12-15-18-21(2)19-16-13-10-9-11-14-17-20-22(23)24-25(3,4)5/h15,18,21H,6-14,16-17,19-20H2,1-5H3/b18-15+
InChIKeyHACTUKFWBMZTNL-OBGWFSINSA-N
XLogP7.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.68
LogP ≤ 57.65
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)-11-methyloctadec-12-enoate?
The IUPAC name of trimethylsilyl (E)-11-methyloctadec-12-enoate (CID 91692540) is trimethylsilyl (E)-11-methyloctadec-12-enoate.
What is the SMILES notation for trimethylsilyl (E)-11-methyloctadec-12-enoate?
The canonical SMILES for trimethylsilyl (E)-11-methyloctadec-12-enoate is CCCCC/C=C/C(C)CCCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (E)-11-methyloctadec-12-enoate?
The InChIKey is HACTUKFWBMZTNL-OBGWFSINSA-N. The full InChI is InChI=1S/C22H44O2Si/c1-6-7-8-12-15-18-21(2)19-16-13-10-9-11-14-17-20-22(23)24-25(3,4)5/h15,18,21H,6-14,16-17,19-20H2,1-5H3/b18-15+.
What are the key properties of trimethylsilyl (E)-11-methyloctadec-12-enoate?
trimethylsilyl (E)-11-methyloctadec-12-enoate has a molecular weight of 368.68 g/mol, XLogP of 7.65, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (E)-11-methyloctadec-12-enoate is sourced from PubChem (CID 91692540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).