ethyl (2E,4E,6R,7S,10E,12E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,4,10,12-tetraenoate

C23H40O3Si — CID 10548569

IUPACethyl (2E,4E,6R,7S,10E,12E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,4,10,12-tetraenoate
SMILESC/C=C/C=C/CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C/C=C/C(=O)OCC
InChIInChI=1S/C23H40O3Si/c1-9-11-12-13-14-18-21(26-27(7,8)23(4,5)6)20(3)17-15-16-19-22(24)25-10-2/h9,11-13,15-17,19-21H,10,14,18H2,1-8H3/b11-9+,13-12+,17-15+,19-16+/t20-,21+/m1/s1
InChIKeyZRFDRBMPIROVBI-BUZZPSONSA-N
MW392.66 g/mol
LogP6.60
Rot. Bonds11

About ethyl (2E,4E,6R,7S,10E,12E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,4,10,12-tetraenoate

ethyl (2E,4E,6R,7S,10E,12E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,4,10,12-tetraenoate (PubChem CID 10548569) has the molecular formula C23H40O3Si and a molecular weight of 392.66 g/mol. Its IUPAC name is ethyl (2E,4E,6R,7S,10E,12E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,4,10,12-tetraenoate.

Molecular Properties

Compound Nameethyl (2E,4E,6R,7S,10E,12E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,4,10,12-tetraenoate
PubChem CID10548569
Molecular FormulaC23H40O3Si
Molecular Weight392.66 g/mol
Exact Mass392.27
IUPAC Nameethyl (2E,4E,6R,7S,10E,12E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,4,10,12-tetraenoate
SMILESC/C=C/C=C/CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C/C=C/C(=O)OCC
InChIInChI=1S/C23H40O3Si/c1-9-11-12-13-14-18-21(26-27(7,8)23(4,5)6)20(3)17-15-16-19-22(24)25-10-2/h9,11-13,15-17,19-21H,10,14,18H2,1-8H3/b11-9+,13-12+,17-15+,19-16+/t20-,21+/m1/s1
InChIKeyZRFDRBMPIROVBI-BUZZPSONSA-N
XLogP6.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.66
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethyl (2E,4E,6R,7S,10E,12E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,4,10,12-tetraenoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E,6R,7S,10E,12E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,4,10,12-tetraenoate?
The IUPAC name of ethyl (2E,4E,6R,7S,10E,12E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,4,10,12-tetraenoate (CID 10548569) is ethyl (2E,4E,6R,7S,10E,12E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,4,10,12-tetraenoate.
What is the SMILES notation for ethyl (2E,4E,6R,7S,10E,12E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,4,10,12-tetraenoate?
The canonical SMILES for ethyl (2E,4E,6R,7S,10E,12E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,4,10,12-tetraenoate is C/C=C/C=C/CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C/C=C/C(=O)OCC.
What is the InChIKey of ethyl (2E,4E,6R,7S,10E,12E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,4,10,12-tetraenoate?
The InChIKey is ZRFDRBMPIROVBI-BUZZPSONSA-N. The full InChI is InChI=1S/C23H40O3Si/c1-9-11-12-13-14-18-21(26-27(7,8)23(4,5)6)20(3)17-15-16-19-22(24)25-10-2/h9,11-13,15-17,19-21H,10,14,18H2,1-8H3/b11-9+,13-12+,17-15+,19-16+/t20-,21+/m1/s1.
What are the key properties of ethyl (2E,4E,6R,7S,10E,12E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,4,10,12-tetraenoate?
ethyl (2E,4E,6R,7S,10E,12E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,4,10,12-tetraenoate has a molecular weight of 392.66 g/mol, XLogP of 6.60, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4E,6R,7S,10E,12E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,4,10,12-tetraenoate is sourced from PubChem (CID 10548569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).