ethyl 15-[butyl(dimethyl)silyl]oxypentadec-5-enoate

C23H46O3Si — CID 89405896

IUPACethyl 15-[butyl(dimethyl)silyl]oxypentadec-5-enoate
SMILESCCCC[Si](C)(C)OCCCCCCCCCC=CCCCC(=O)OCC
InChIInChI=1S/C23H46O3Si/c1-5-7-22-27(3,4)26-21-19-17-15-13-11-9-8-10-12-14-16-18-20-23(24)25-6-2/h12,14H,5-11,13,15-22H2,1-4H3
InChIKeyRVUPOYSUOMMPMT-UHFFFAOYSA-N
MW398.70 g/mol
LogP7.42
Rot. Bonds19

About ethyl 15-[butyl(dimethyl)silyl]oxypentadec-5-enoate

ethyl 15-[butyl(dimethyl)silyl]oxypentadec-5-enoate (PubChem CID 89405896) has the molecular formula C23H46O3Si and a molecular weight of 398.70 g/mol. Its IUPAC name is ethyl 15-[butyl(dimethyl)silyl]oxypentadec-5-enoate.

Molecular Properties

Compound Nameethyl 15-[butyl(dimethyl)silyl]oxypentadec-5-enoate
PubChem CID89405896
Molecular FormulaC23H46O3Si
Molecular Weight398.70 g/mol
Exact Mass398.32
IUPAC Nameethyl 15-[butyl(dimethyl)silyl]oxypentadec-5-enoate
SMILESCCCC[Si](C)(C)OCCCCCCCCCC=CCCCC(=O)OCC
InChIInChI=1S/C23H46O3Si/c1-5-7-22-27(3,4)26-21-19-17-15-13-11-9-8-10-12-14-16-18-20-23(24)25-6-2/h12,14H,5-11,13,15-22H2,1-4H3
InChIKeyRVUPOYSUOMMPMT-UHFFFAOYSA-N
XLogP7.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.70
LogP ≤ 57.42
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 18-octadecanoyloxyoctadec-9-enoate
CID 85380657
ethyl (Z)-icos-9-enoate
CID 72941815
ethyl octadec-8-enoate
CID 71350628
CID 175771564
CID 175771564
6-O-[(E)-dec-4-enyl] 1-O-dodecyl hexanedioate
CID 91715844
ethyl (E)-tridec-4-enoate
CID 10944557
ethyl octadeca-5,10,12-trienoate
CID 71346061
ethyl (11Z)-icosa-11,14-dienoate
CID 77134635
hexacosyl icos-13-enoate
CID 166097796
octyl (E)-octadec-9-enoate
CID 6044893
pentatriacontyl icos-13-enoate
CID 166097693
dodecyl (Z)-triacont-12-enoate
CID 170849367

Frequently Asked Questions

What is the IUPAC name of ethyl 15-[butyl(dimethyl)silyl]oxypentadec-5-enoate?
The IUPAC name of ethyl 15-[butyl(dimethyl)silyl]oxypentadec-5-enoate (CID 89405896) is ethyl 15-[butyl(dimethyl)silyl]oxypentadec-5-enoate.
What is the SMILES notation for ethyl 15-[butyl(dimethyl)silyl]oxypentadec-5-enoate?
The canonical SMILES for ethyl 15-[butyl(dimethyl)silyl]oxypentadec-5-enoate is CCCC[Si](C)(C)OCCCCCCCCCC=CCCCC(=O)OCC.
What is the InChIKey of ethyl 15-[butyl(dimethyl)silyl]oxypentadec-5-enoate?
The InChIKey is RVUPOYSUOMMPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O3Si/c1-5-7-22-27(3,4)26-21-19-17-15-13-11-9-8-10-12-14-16-18-20-23(24)25-6-2/h12,14H,5-11,13,15-22H2,1-4H3.
What are the key properties of ethyl 15-[butyl(dimethyl)silyl]oxypentadec-5-enoate?
ethyl 15-[butyl(dimethyl)silyl]oxypentadec-5-enoate has a molecular weight of 398.70 g/mol, XLogP of 7.42, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 15-[butyl(dimethyl)silyl]oxypentadec-5-enoate is sourced from PubChem (CID 89405896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).