methyl (4Z,7Z,10Z,13Z,15S)-15-[tert-butyl(dimethyl)silyl]oxyhexadeca-4,7,10,13-tetraenoate

C23H40O3Si — CID 11246348

IUPACmethyl (4Z,7Z,10Z,13Z,15S)-15-[tert-butyl(dimethyl)silyl]oxyhexadeca-4,7,10,13-tetraenoate
SMILESCOC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H40O3Si/c1-21(26-27(6,7)23(2,3)4)19-17-15-13-11-9-8-10-12-14-16-18-20-22(24)25-5/h8,10-11,13-14,16-17,19,21H,9,12,15,18,20H2,1-7H3/b10-8-,13-11-,16-14-,19-17-/t21-/m0/s1
InChIKeyISODPFJDYNOSLU-HTHAFZHDSA-N
MW392.66 g/mol
LogP6.74
Rot. Bonds12

About methyl (4Z,7Z,10Z,13Z,15S)-15-[tert-butyl(dimethyl)silyl]oxyhexadeca-4,7,10,13-tetraenoate

methyl (4Z,7Z,10Z,13Z,15S)-15-[tert-butyl(dimethyl)silyl]oxyhexadeca-4,7,10,13-tetraenoate (PubChem CID 11246348) has the molecular formula C23H40O3Si and a molecular weight of 392.66 g/mol. Its IUPAC name is methyl (4Z,7Z,10Z,13Z,15S)-15-[tert-butyl(dimethyl)silyl]oxyhexadeca-4,7,10,13-tetraenoate.

Molecular Properties

Compound Namemethyl (4Z,7Z,10Z,13Z,15S)-15-[tert-butyl(dimethyl)silyl]oxyhexadeca-4,7,10,13-tetraenoate
PubChem CID11246348
Molecular FormulaC23H40O3Si
Molecular Weight392.66 g/mol
Exact Mass392.27
IUPAC Namemethyl (4Z,7Z,10Z,13Z,15S)-15-[tert-butyl(dimethyl)silyl]oxyhexadeca-4,7,10,13-tetraenoate
SMILESCOC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H40O3Si/c1-21(26-27(6,7)23(2,3)4)19-17-15-13-11-9-8-10-12-14-16-18-20-22(24)25-5/h8,10-11,13-14,16-17,19,21H,9,12,15,18,20H2,1-7H3/b10-8-,13-11-,16-14-,19-17-/t21-/m0/s1
InChIKeyISODPFJDYNOSLU-HTHAFZHDSA-N
XLogP6.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.66
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (4Z,7Z,10Z,13Z,15S)-15-[tert-butyl(dimethyl)silyl]oxyhexadeca-4,7,10,13-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 methyl (4Z,7Z,10Z,13Z,15S)-15-[tert-butyl(dimethyl)silyl]oxyhexadeca-4,7,10,13-tetraenoate?
The IUPAC name of methyl (4Z,7Z,10Z,13Z,15S)-15-[tert-butyl(dimethyl)silyl]oxyhexadeca-4,7,10,13-tetraenoate (CID 11246348) is methyl (4Z,7Z,10Z,13Z,15S)-15-[tert-butyl(dimethyl)silyl]oxyhexadeca-4,7,10,13-tetraenoate.
What is the SMILES notation for methyl (4Z,7Z,10Z,13Z,15S)-15-[tert-butyl(dimethyl)silyl]oxyhexadeca-4,7,10,13-tetraenoate?
The canonical SMILES for methyl (4Z,7Z,10Z,13Z,15S)-15-[tert-butyl(dimethyl)silyl]oxyhexadeca-4,7,10,13-tetraenoate is COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (4Z,7Z,10Z,13Z,15S)-15-[tert-butyl(dimethyl)silyl]oxyhexadeca-4,7,10,13-tetraenoate?
The InChIKey is ISODPFJDYNOSLU-HTHAFZHDSA-N. The full InChI is InChI=1S/C23H40O3Si/c1-21(26-27(6,7)23(2,3)4)19-17-15-13-11-9-8-10-12-14-16-18-20-22(24)25-5/h8,10-11,13-14,16-17,19,21H,9,12,15,18,20H2,1-7H3/b10-8-,13-11-,16-14-,19-17-/t21-/m0/s1.
What are the key properties of methyl (4Z,7Z,10Z,13Z,15S)-15-[tert-butyl(dimethyl)silyl]oxyhexadeca-4,7,10,13-tetraenoate?
methyl (4Z,7Z,10Z,13Z,15S)-15-[tert-butyl(dimethyl)silyl]oxyhexadeca-4,7,10,13-tetraenoate has a molecular weight of 392.66 g/mol, XLogP of 6.74, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4Z,7Z,10Z,13Z,15S)-15-[tert-butyl(dimethyl)silyl]oxyhexadeca-4,7,10,13-tetraenoate is sourced from PubChem (CID 11246348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).