methyl (E)-18-trimethylsilyloxyoctadec-9-enoate

C22H44O3Si — CID 5366421

IUPACmethyl (E)-18-trimethylsilyloxyoctadec-9-enoate
SMILESCOC(=O)CCCCCCC/C=C/CCCCCCCCO[Si](C)(C)C
InChIInChI=1S/C22H44O3Si/c1-24-22(23)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-25-26(2,3)4/h5-6H,7-21H2,1-4H3/b6-5+
InChIKeyXNRDVMVIWVYCDP-AATRIKPKSA-N
MW384.68 g/mol
LogP7.03
Rot. Bonds18

About methyl (E)-18-trimethylsilyloxyoctadec-9-enoate

methyl (E)-18-trimethylsilyloxyoctadec-9-enoate (PubChem CID 5366421) has the molecular formula C22H44O3Si and a molecular weight of 384.68 g/mol. Its IUPAC name is methyl (E)-18-trimethylsilyloxyoctadec-9-enoate.

Molecular Properties

Compound Namemethyl (E)-18-trimethylsilyloxyoctadec-9-enoate
PubChem CID5366421
Molecular FormulaC22H44O3Si
Molecular Weight384.68 g/mol
Exact Mass384.31
IUPAC Namemethyl (E)-18-trimethylsilyloxyoctadec-9-enoate
SMILESCOC(=O)CCCCCCC/C=C/CCCCCCCCO[Si](C)(C)C
InChIInChI=1S/C22H44O3Si/c1-24-22(23)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-25-26(2,3)4/h5-6H,7-21H2,1-4H3/b6-5+
InChIKeyXNRDVMVIWVYCDP-AATRIKPKSA-N
XLogP7.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.68
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

Ethyl Oleate
CID 5363269
Methyl Oleate
CID 5364509
Methyl linoleate
CID 5284421
Butyl Oleate
CID 5354342
Oxacycloheptadec-8-en-2-one, (8Z)-
CID 5365703
Ethyl linolenate
CID 5367460
Oleic acid, ion(1-)
CID 5460221
Ethyl Linoleate
CID 5282184
Methyl Linolenate
CID 5319706
Decyl Oleate
CID 5363234
Methyl 9-undecenoate
CID 6435903
Cetyl Oleate
CID 5377655

Frequently Asked Questions

What is the IUPAC name of methyl (E)-18-trimethylsilyloxyoctadec-9-enoate?
The IUPAC name of methyl (E)-18-trimethylsilyloxyoctadec-9-enoate (CID 5366421) is methyl (E)-18-trimethylsilyloxyoctadec-9-enoate.
What is the SMILES notation for methyl (E)-18-trimethylsilyloxyoctadec-9-enoate?
The canonical SMILES for methyl (E)-18-trimethylsilyloxyoctadec-9-enoate is COC(=O)CCCCCCC/C=C/CCCCCCCCO[Si](C)(C)C.
What is the InChIKey of methyl (E)-18-trimethylsilyloxyoctadec-9-enoate?
The InChIKey is XNRDVMVIWVYCDP-AATRIKPKSA-N. The full InChI is InChI=1S/C22H44O3Si/c1-24-22(23)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-25-26(2,3)4/h5-6H,7-21H2,1-4H3/b6-5+.
What are the key properties of methyl (E)-18-trimethylsilyloxyoctadec-9-enoate?
methyl (E)-18-trimethylsilyloxyoctadec-9-enoate has a molecular weight of 384.68 g/mol, XLogP of 7.03, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-18-trimethylsilyloxyoctadec-9-enoate is sourced from PubChem (CID 5366421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).