methyl (3S,5R,6E)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxynona-6,8-dienoate

C17H32O4Si — CID 72948036

IUPACmethyl (3S,5R,6E)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxynona-6,8-dienoate
SMILESC=C/C=C/[C@@H](C[C@@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C17H32O4Si/c1-9-10-11-14(19-5)12-15(13-16(18)20-6)21-22(7,8)17(2,3)4/h9-11,14-15H,1,12-13H2,2-8H3/b11-10+/t14-,15-/m0/s1
InChIKeyIQZGTEQYPGYPPK-BWLFODOESA-N
MW328.53 g/mol
LogP4.09
Rot. Bonds9

About methyl (3S,5R,6E)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxynona-6,8-dienoate

methyl (3S,5R,6E)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxynona-6,8-dienoate (PubChem CID 72948036) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is methyl (3S,5R,6E)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxynona-6,8-dienoate.

Molecular Properties

Compound Namemethyl (3S,5R,6E)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxynona-6,8-dienoate
PubChem CID72948036
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Namemethyl (3S,5R,6E)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxynona-6,8-dienoate
SMILESC=C/C=C/[C@@H](C[C@@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C17H32O4Si/c1-9-10-11-14(19-5)12-15(13-16(18)20-6)21-22(7,8)17(2,3)4/h9-11,14-15H,1,12-13H2,2-8H3/b11-10+/t14-,15-/m0/s1
InChIKeyIQZGTEQYPGYPPK-BWLFODOESA-N
XLogP4.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (3S,5R,6E)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxynona-6,8-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 (5S,6Z,8E,10E,12R,14Z)-5,12-bis[[tert-butyl(dimethyl)silyl]oxy]icosa-6,8,10,14-tetraenoate
CID 13798086
methyl (3S,5R,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxytetradeca-6,8-dienoate
CID 25199404
methyl (5S,6Z,8E)-9-[bis(3-methylbutan-2-yl)boranyl]-5-[tert-butyl(dimethyl)silyl]oxynona-6,8-dienoate
CID 44477967
methyl (5S,6Z,8E,10S)-5,10,18-tris[[tert-butyl(dimethyl)silyl]oxy]octadeca-6,8-dien-12-ynoate
CID 134979328
ethyl 3-oxo-4-[(2S,6R)-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-6-yl]butanoate
CID 135014823
methyl (5S,6E,8Z,11Z,14Z,16E,18R)-5,18-bis[[tert-butyl(dimethyl)silyl]oxy]icosa-6,8,11,14,16-pentaenoate
CID 146162789
methyl 4-[(2S,3S)-3-[(1E,3E,5Z,8Z)-13-[tert-butyl(dimethyl)silyl]oxytetradeca-1,3,5,8-tetraenyl]oxiran-2-yl]butanoate
CID 10895863
E,Z,Z-5-Hydroxyeicosa-6,8,14-trienoic acid, methyl ester, trimethylsilyl ether
CID 91696943
E,Z,E,Z-5,12-Dihydroxyeicosa-6,8,10,14-tetraenoic acid, methyl ester, bis(trimethylsilyl) ether
CID 91733271
E,Z,Z,Z-5,12-Dihydroxyeicosa-6,8,10,14-tetraenoic acid, methyl ester, bis(trimethylsilyl) ether
CID 91741286
methyl (6E,8E)-3-oxo-5-trimethylsilyloxytetradeca-6,8-dienoate
CID 20330593
(5S,8E,10E,12R,16E,18R)-methyl 5,12,18-tris(tert-butyldimethylsilyloxy)icosa-8,10,16-trien-6,14-diynoate
CID 44629273

Frequently Asked Questions

What is the IUPAC name of methyl (3S,5R,6E)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxynona-6,8-dienoate?
The IUPAC name of methyl (3S,5R,6E)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxynona-6,8-dienoate (CID 72948036) is methyl (3S,5R,6E)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxynona-6,8-dienoate.
What is the SMILES notation for methyl (3S,5R,6E)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxynona-6,8-dienoate?
The canonical SMILES for methyl (3S,5R,6E)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxynona-6,8-dienoate is C=C/C=C/[C@@H](C[C@@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C)OC.
What is the InChIKey of methyl (3S,5R,6E)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxynona-6,8-dienoate?
The InChIKey is IQZGTEQYPGYPPK-BWLFODOESA-N. The full InChI is InChI=1S/C17H32O4Si/c1-9-10-11-14(19-5)12-15(13-16(18)20-6)21-22(7,8)17(2,3)4/h9-11,14-15H,1,12-13H2,2-8H3/b11-10+/t14-,15-/m0/s1.
What are the key properties of methyl (3S,5R,6E)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxynona-6,8-dienoate?
methyl (3S,5R,6E)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxynona-6,8-dienoate has a molecular weight of 328.53 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,5R,6E)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxynona-6,8-dienoate is sourced from PubChem (CID 72948036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).