methyl (5E,7Z)-7-tri(propan-2-yl)silyloxynona-5,7-dienoate

C19H36O3Si — CID 11688696

IUPACmethyl (5E,7Z)-7-tri(propan-2-yl)silyloxynona-5,7-dienoate
SMILESC/C=C(/C=C/CCCC(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H36O3Si/c1-9-18(13-11-10-12-14-19(20)21-8)22-23(15(2)3,16(4)5)17(6)7/h9,11,13,15-17H,10,12,14H2,1-8H3/b13-11+,18-9-
InChIKeyIFBVVXIRBPHXES-UBAKEQHPSA-N
MW340.58 g/mol
LogP5.98
Rot. Bonds10

About methyl (5E,7Z)-7-tri(propan-2-yl)silyloxynona-5,7-dienoate

methyl (5E,7Z)-7-tri(propan-2-yl)silyloxynona-5,7-dienoate (PubChem CID 11688696) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is methyl (5E,7Z)-7-tri(propan-2-yl)silyloxynona-5,7-dienoate.

Molecular Properties

Compound Namemethyl (5E,7Z)-7-tri(propan-2-yl)silyloxynona-5,7-dienoate
PubChem CID11688696
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Namemethyl (5E,7Z)-7-tri(propan-2-yl)silyloxynona-5,7-dienoate
SMILESC/C=C(/C=C/CCCC(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H36O3Si/c1-9-18(13-11-10-12-14-19(20)21-8)22-23(15(2)3,16(4)5)17(6)7/h9,11,13,15-17H,10,12,14H2,1-8H3/b13-11+,18-9-
InChIKeyIFBVVXIRBPHXES-UBAKEQHPSA-N
XLogP5.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze methyl (5E,7Z)-7-tri(propan-2-yl)silyloxynona-5,7-dienoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl (11R,12E,14Z)-11-[tert-butyl(dimethyl)silyl]oxyicosa-12,14-dien-5,8-diynoate
CID 134976599
methyl (E,18R)-18-[tert-butyl(dimethyl)silyl]oxyicos-16-en-5,8,11,14-tetraynoate
CID 138982536
methyl (5Z,8Z,11Z,16E,18R)-18-[tert-butyl(dimethyl)silyl]oxyicosa-5,8,11,16-tetraen-14-ynoate
CID 138982537
methyl (5Z,8Z,11Z,14Z,16E,18R)-18-[tert-butyl(dimethyl)silyl]oxyicosa-5,8,11,14,16-pentaenoate
CID 138982538
methyl (E,18S)-18-[tert-butyl(dimethyl)silyl]oxyicos-16-en-5,8,11,14-tetraynoate
CID 138982735
methyl (6Z,9S,10E,12Z)-9-trimethylsilyloxyoctadeca-6,10,12-trienoate
CID 10249233
Z,E,E-13-Hydroxyoctadeca-6,9,11-trienoic acid, methyl ester, trimethylsilyl ether
CID 10385150
Z,Z,E,E-14-Hydroxynonadeca-4,7,10,12-tetra-enoic acid,methyl ester, trimethylsilyl ether
CID 91696822
Z,Z,Z,E,Z-14-Hydroxydocosa-4,7,10,12,16-pentaenoic acid, methyl ester, trimethylsilyl ether
CID 91696969
Z,E,E-12-Hydroxyoctadeca-5,8,10-trienoic acid, methyl ester,trimethylsilyl ether
CID 91737541
Ethyl 4-(2-triethylsilyloxyethenyl)hex-4-enoate
CID 173004820
methyl (6Z,10E,12Z)-9-trimethylsilyloxy(114C)octadeca-6,10,12-trienoate
CID 10045457

Frequently Asked Questions

What is the IUPAC name of methyl (5E,7Z)-7-tri(propan-2-yl)silyloxynona-5,7-dienoate?
The IUPAC name of methyl (5E,7Z)-7-tri(propan-2-yl)silyloxynona-5,7-dienoate (CID 11688696) is methyl (5E,7Z)-7-tri(propan-2-yl)silyloxynona-5,7-dienoate.
What is the SMILES notation for methyl (5E,7Z)-7-tri(propan-2-yl)silyloxynona-5,7-dienoate?
The canonical SMILES for methyl (5E,7Z)-7-tri(propan-2-yl)silyloxynona-5,7-dienoate is C/C=C(/C=C/CCCC(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of methyl (5E,7Z)-7-tri(propan-2-yl)silyloxynona-5,7-dienoate?
The InChIKey is IFBVVXIRBPHXES-UBAKEQHPSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-9-18(13-11-10-12-14-19(20)21-8)22-23(15(2)3,16(4)5)17(6)7/h9,11,13,15-17H,10,12,14H2,1-8H3/b13-11+,18-9-.
What are the key properties of methyl (5E,7Z)-7-tri(propan-2-yl)silyloxynona-5,7-dienoate?
methyl (5E,7Z)-7-tri(propan-2-yl)silyloxynona-5,7-dienoate has a molecular weight of 340.58 g/mol, XLogP of 5.98, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5E,7Z)-7-tri(propan-2-yl)silyloxynona-5,7-dienoate is sourced from PubChem (CID 11688696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).