methyl (4Z,7Z,10Z,12E)-14-trimethylsilyloxynonadeca-4,7,10,12-tetraenoate

C23H40O3Si — CID 91696822

IUPACmethyl (4Z,7Z,10Z,12E)-14-trimethylsilyloxynonadeca-4,7,10,12-tetraenoate
SMILESCCCCCC(/C=C/C=C\C/C=C\C/C=C\CCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C23H40O3Si/c1-6-7-16-19-22(26-27(3,4)5)20-17-14-12-10-8-9-11-13-15-18-21-23(24)25-2/h8-9,12-15,17,20,22H,6-7,10-11,16,18-19,21H2,1-5H3/b9-8-,14-12-,15-13-,20-17+
InChIKeySLWBLUWALNMUKT-ATHPFHLYSA-N
MW392.66 g/mol
LogP6.74
Rot. Bonds15

About methyl (4Z,7Z,10Z,12E)-14-trimethylsilyloxynonadeca-4,7,10,12-tetraenoate

methyl (4Z,7Z,10Z,12E)-14-trimethylsilyloxynonadeca-4,7,10,12-tetraenoate (PubChem CID 91696822) has the molecular formula C23H40O3Si and a molecular weight of 392.66 g/mol. Its IUPAC name is methyl (4Z,7Z,10Z,12E)-14-trimethylsilyloxynonadeca-4,7,10,12-tetraenoate.

Molecular Properties

Compound Namemethyl (4Z,7Z,10Z,12E)-14-trimethylsilyloxynonadeca-4,7,10,12-tetraenoate
PubChem CID91696822
Molecular FormulaC23H40O3Si
Molecular Weight392.66 g/mol
Exact Mass392.27
IUPAC Namemethyl (4Z,7Z,10Z,12E)-14-trimethylsilyloxynonadeca-4,7,10,12-tetraenoate
SMILESCCCCCC(/C=C/C=C\C/C=C\C/C=C\CCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C23H40O3Si/c1-6-7-16-19-22(26-27(3,4)5)20-17-14-12-10-8-9-11-13-15-18-21-23(24)25-2/h8-9,12-15,17,20,22H,6-7,10-11,16,18-19,21H2,1-5H3/b9-8-,14-12-,15-13-,20-17+
InChIKeySLWBLUWALNMUKT-ATHPFHLYSA-N
XLogP6.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze methyl (4Z,7Z,10Z,12E)-14-trimethylsilyloxynonadeca-4,7,10,12-tetraenoate with MolForge

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Launch Full Analysis

Related Compounds

13-Trimethylsiloxy 9,11-octadecadienoic methyl ester
CID 85931395
(13s,9e,11e)-Methyl 13-t-butyldimethylsilyloxy-9,11-tetradecadienoate
CID 129703585
10,12-Octadecadienoic acid, 9-hydroxy, TMS, methyl ester
CID 91749548
methyl (5Z,8Z,11Z,13E,15S)-15-hydroperoxyicosa-5,8,11,13-tetraenoate
CID 10926168
methyl (5E,7Z)-7-tri(propan-2-yl)silyloxynona-5,7-dienoate
CID 11688696
(13s,9z,11e)-Methyl 13-t-butyldimethylsilyloxy-9,11-tetradecadienoate
CID 12988293
9,16-Trimethylsiloxy-15-methoxy-10-octadecadienoic acid
CID 129706714
Methyl 10-trimethylsilyloxy-8-octadecenoate
CID 129726707
methyl (11R,12E,14Z)-11-[tert-butyl(dimethyl)silyl]oxyicosa-12,14-dien-5,8-diynoate
CID 134976599
methyl (5E,8Z,10E,12S,14Z)-12,20-bis[[tert-butyl(dimethyl)silyl]oxy]icosa-5,8,10,14-tetraenoate
CID 134980793
methyl (5Z,8Z,11Z,14Z,16E,18R)-18-[tert-butyl(dimethyl)silyl]oxyicosa-5,8,11,14,16-pentaenoate
CID 138982538
10,12-Octadecadienoic acid, 9,14-dihydroxy, TMS, methyl ester, # 1
CID 91749547

Frequently Asked Questions

What is the IUPAC name of methyl (4Z,7Z,10Z,12E)-14-trimethylsilyloxynonadeca-4,7,10,12-tetraenoate?
The IUPAC name of methyl (4Z,7Z,10Z,12E)-14-trimethylsilyloxynonadeca-4,7,10,12-tetraenoate (CID 91696822) is methyl (4Z,7Z,10Z,12E)-14-trimethylsilyloxynonadeca-4,7,10,12-tetraenoate.
What is the SMILES notation for methyl (4Z,7Z,10Z,12E)-14-trimethylsilyloxynonadeca-4,7,10,12-tetraenoate?
The canonical SMILES for methyl (4Z,7Z,10Z,12E)-14-trimethylsilyloxynonadeca-4,7,10,12-tetraenoate is CCCCCC(/C=C/C=C\C/C=C\C/C=C\CCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl (4Z,7Z,10Z,12E)-14-trimethylsilyloxynonadeca-4,7,10,12-tetraenoate?
The InChIKey is SLWBLUWALNMUKT-ATHPFHLYSA-N. The full InChI is InChI=1S/C23H40O3Si/c1-6-7-16-19-22(26-27(3,4)5)20-17-14-12-10-8-9-11-13-15-18-21-23(24)25-2/h8-9,12-15,17,20,22H,6-7,10-11,16,18-19,21H2,1-5H3/b9-8-,14-12-,15-13-,20-17+.
What are the key properties of methyl (4Z,7Z,10Z,12E)-14-trimethylsilyloxynonadeca-4,7,10,12-tetraenoate?
methyl (4Z,7Z,10Z,12E)-14-trimethylsilyloxynonadeca-4,7,10,12-tetraenoate has a molecular weight of 392.66 g/mol, XLogP of 6.74, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4Z,7Z,10Z,12E)-14-trimethylsilyloxynonadeca-4,7,10,12-tetraenoate is sourced from PubChem (CID 91696822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).