methyl (E)-2-trimethylsilyloxyhexadec-5-enoate

C20H40O3Si — CID 91696378

IUPACmethyl (E)-2-trimethylsilyloxyhexadec-5-enoate
SMILESCCCCCCCCCC/C=C/CCC(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C20H40O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20(21)22-2)23-24(3,4)5/h15-16,19H,6-14,17-18H2,1-5H3/b16-15+
InChIKeyKICIJZNUWWRUSW-FOCLMDBBSA-N
MW356.62 g/mol
LogP6.25
Rot. Bonds15

About methyl (E)-2-trimethylsilyloxyhexadec-5-enoate

methyl (E)-2-trimethylsilyloxyhexadec-5-enoate (PubChem CID 91696378) has the molecular formula C20H40O3Si and a molecular weight of 356.62 g/mol. Its IUPAC name is methyl (E)-2-trimethylsilyloxyhexadec-5-enoate.

Molecular Properties

Compound Namemethyl (E)-2-trimethylsilyloxyhexadec-5-enoate
PubChem CID91696378
Molecular FormulaC20H40O3Si
Molecular Weight356.62 g/mol
Exact Mass356.27
IUPAC Namemethyl (E)-2-trimethylsilyloxyhexadec-5-enoate
SMILESCCCCCCCCCC/C=C/CCC(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C20H40O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20(21)22-2)23-24(3,4)5/h15-16,19H,6-14,17-18H2,1-5H3/b16-15+
InChIKeyKICIJZNUWWRUSW-FOCLMDBBSA-N
XLogP6.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.62
LogP ≤ 56.25
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

5-Hexadecenoic acid, 2-methoxy-, methyl ester
CID 5369409
Methyl (6z)-2-methoxy-6-hexadecenoate
CID 11822655
Methyl 2-tri(propan-2-yl)silyloxyhept-6-enoate
CID 10859994
Methyl (6z)-2-methoxy-6-heptadecenoate
CID 129724958
Methyl (6z)-2-methoxy-6-octadecenoate
CID 129724978
Methyl (5z,9z)-2-methoxy-5,9-octadecadienoate
CID 129853954
2-Trimethylsiloxy-6-hexadecenoic acid
CID 177796211
Methyl 2-methoxyhexadec-5-enoate
CID 568731
Methyl (5Z)-2-methoxy-5-hexadecenoate
CID 21160331
alpha-Hydroxynervonic acid, TMSi-Me
CID 5352164
9-Trimethylsilyloxy-12-octadecenoic acid, methyl ester
CID 5366460
9-Octadecenoic acid, 12-methoxy-13-[(trimethylsilyl)oxy]-, methyl ester
CID 5374381

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-trimethylsilyloxyhexadec-5-enoate?
The IUPAC name of methyl (E)-2-trimethylsilyloxyhexadec-5-enoate (CID 91696378) is methyl (E)-2-trimethylsilyloxyhexadec-5-enoate.
What is the SMILES notation for methyl (E)-2-trimethylsilyloxyhexadec-5-enoate?
The canonical SMILES for methyl (E)-2-trimethylsilyloxyhexadec-5-enoate is CCCCCCCCCC/C=C/CCC(O[Si](C)(C)C)C(=O)OC.
What is the InChIKey of methyl (E)-2-trimethylsilyloxyhexadec-5-enoate?
The InChIKey is KICIJZNUWWRUSW-FOCLMDBBSA-N. The full InChI is InChI=1S/C20H40O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20(21)22-2)23-24(3,4)5/h15-16,19H,6-14,17-18H2,1-5H3/b16-15+.
What are the key properties of methyl (E)-2-trimethylsilyloxyhexadec-5-enoate?
methyl (E)-2-trimethylsilyloxyhexadec-5-enoate has a molecular weight of 356.62 g/mol, XLogP of 6.25, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-trimethylsilyloxyhexadec-5-enoate is sourced from PubChem (CID 91696378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).