methyl (Z)-9-trimethylsilyloxyoctadec-12-enoate

C22H44O3Si — CID 5366460

IUPACmethyl (Z)-9-trimethylsilyloxyoctadec-12-enoate
SMILESCCCCC/C=C\CCC(CCCCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C22H44O3Si/c1-6-7-8-9-10-12-15-18-21(25-26(3,4)5)19-16-13-11-14-17-20-22(23)24-2/h10,12,21H,6-9,11,13-20H2,1-5H3/b12-10-
InChIKeyZUPXSCMRFYXOOJ-BENRWUELSA-N
MW384.68 g/mol
LogP7.03
Rot. Bonds17

About methyl (Z)-9-trimethylsilyloxyoctadec-12-enoate

methyl (Z)-9-trimethylsilyloxyoctadec-12-enoate (PubChem CID 5366460) has the molecular formula C22H44O3Si and a molecular weight of 384.68 g/mol. Its IUPAC name is methyl (Z)-9-trimethylsilyloxyoctadec-12-enoate.

Molecular Properties

Compound Namemethyl (Z)-9-trimethylsilyloxyoctadec-12-enoate
PubChem CID5366460
Molecular FormulaC22H44O3Si
Molecular Weight384.68 g/mol
Exact Mass384.31
IUPAC Namemethyl (Z)-9-trimethylsilyloxyoctadec-12-enoate
SMILESCCCCC/C=C\CCC(CCCCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C22H44O3Si/c1-6-7-8-9-10-12-15-18-21(25-26(3,4)5)19-16-13-11-14-17-20-22(23)24-2/h10,12,21H,6-9,11,13-20H2,1-5H3/b12-10-
InChIKeyZUPXSCMRFYXOOJ-BENRWUELSA-N
XLogP7.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
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
Ethyl linolenate
CID 5367460
Methyl acetyl ricinoleate
CID 5354176
Ethyl Linoleate
CID 5282184
Methyl Linolenate
CID 5319706
Decyl Oleate
CID 5363234
Isopropyl Oleate
CID 5356108
Lauryl Oleate
CID 6437535
Isopropyl Linoleate
CID 5352860

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-9-trimethylsilyloxyoctadec-12-enoate?
The IUPAC name of methyl (Z)-9-trimethylsilyloxyoctadec-12-enoate (CID 5366460) is methyl (Z)-9-trimethylsilyloxyoctadec-12-enoate.
What is the SMILES notation for methyl (Z)-9-trimethylsilyloxyoctadec-12-enoate?
The canonical SMILES for methyl (Z)-9-trimethylsilyloxyoctadec-12-enoate is CCCCC/C=C\CCC(CCCCCCCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl (Z)-9-trimethylsilyloxyoctadec-12-enoate?
The InChIKey is ZUPXSCMRFYXOOJ-BENRWUELSA-N. The full InChI is InChI=1S/C22H44O3Si/c1-6-7-8-9-10-12-15-18-21(25-26(3,4)5)19-16-13-11-14-17-20-22(23)24-2/h10,12,21H,6-9,11,13-20H2,1-5H3/b12-10-.
What are the key properties of methyl (Z)-9-trimethylsilyloxyoctadec-12-enoate?
methyl (Z)-9-trimethylsilyloxyoctadec-12-enoate has a molecular weight of 384.68 g/mol, XLogP of 7.03, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-9-trimethylsilyloxyoctadec-12-enoate is sourced from PubChem (CID 5366460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).