triethylsilyl (Z)-octadec-9-enoate

C24H48O2Si — CID 156904920

IUPACtriethylsilyl (Z)-octadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C24H48O2Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-27(6-2,7-3)8-4/h15-16H,5-14,17-23H2,1-4H3/b16-15-
InChIKeyHPABBECDPKGNDE-NXVVXOECSA-N
MW396.73 g/mol
LogP8.57
Rot. Bonds19

About triethylsilyl (Z)-octadec-9-enoate

triethylsilyl (Z)-octadec-9-enoate (PubChem CID 156904920) has the molecular formula C24H48O2Si and a molecular weight of 396.73 g/mol. Its IUPAC name is triethylsilyl (Z)-octadec-9-enoate.

Molecular Properties

Compound Nametriethylsilyl (Z)-octadec-9-enoate
PubChem CID156904920
Molecular FormulaC24H48O2Si
Molecular Weight396.73 g/mol
Exact Mass396.34
IUPAC Nametriethylsilyl (Z)-octadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C24H48O2Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-27(6-2,7-3)8-4/h15-16H,5-14,17-23H2,1-4H3/b16-15-
InChIKeyHPABBECDPKGNDE-NXVVXOECSA-N
XLogP8.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.73
LogP ≤ 58.57
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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Related Compounds

Methyl Oleate
CID 5364509
Methyl linoleate
CID 5284421
Sodium Oleate
CID 23665730
Potassium Oleate
CID 23665571
Oleic acid, ion(1-)
CID 5460221
Potassium Linoleate
CID 23684895
Sodium Linoleate
CID 23676150
Methyl Linolenate
CID 5319706
Methyl palmitoleate
CID 643801
Methyl elaidate
CID 5280590
Tributyltin oleate
CID 16684076
Methyl linolelaidate
CID 5362793

Frequently Asked Questions

What is the IUPAC name of triethylsilyl (Z)-octadec-9-enoate?
The IUPAC name of triethylsilyl (Z)-octadec-9-enoate (CID 156904920) is triethylsilyl (Z)-octadec-9-enoate.
What is the SMILES notation for triethylsilyl (Z)-octadec-9-enoate?
The canonical SMILES for triethylsilyl (Z)-octadec-9-enoate is CCCCCCCC/C=C\CCCCCCCC(=O)O[Si](CC)(CC)CC.
What is the InChIKey of triethylsilyl (Z)-octadec-9-enoate?
The InChIKey is HPABBECDPKGNDE-NXVVXOECSA-N. The full InChI is InChI=1S/C24H48O2Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-27(6-2,7-3)8-4/h15-16H,5-14,17-23H2,1-4H3/b16-15-.
What are the key properties of triethylsilyl (Z)-octadec-9-enoate?
triethylsilyl (Z)-octadec-9-enoate has a molecular weight of 396.73 g/mol, XLogP of 8.57, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl (Z)-octadec-9-enoate is sourced from PubChem (CID 156904920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).