methyl (2Z,4E,6R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6-methylnona-2,4-dienoate

C19H36O5Si — CID 15981705

IUPACmethyl (2Z,4E,6R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6-methylnona-2,4-dienoate
SMILESCOCO[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@H](C)/C=C/C=C\C(=O)OC
InChIInChI=1S/C19H36O5Si/c1-16(11-9-10-12-18(20)22-6)17(23-15-21-5)13-14-24-25(7,8)19(2,3)4/h9-12,16-17H,13-15H2,1-8H3/b11-9+,12-10-/t16-,17+/m1/s1
InChIKeyAMZVGPWYJSIISW-ACKNBVCGSA-N
MW372.58 g/mol
LogP4.31
Rot. Bonds11

About methyl (2Z,4E,6R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6-methylnona-2,4-dienoate

methyl (2Z,4E,6R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6-methylnona-2,4-dienoate (PubChem CID 15981705) has the molecular formula C19H36O5Si and a molecular weight of 372.58 g/mol. Its IUPAC name is methyl (2Z,4E,6R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6-methylnona-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2Z,4E,6R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6-methylnona-2,4-dienoate
PubChem CID15981705
Molecular FormulaC19H36O5Si
Molecular Weight372.58 g/mol
Exact Mass372.23
IUPAC Namemethyl (2Z,4E,6R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6-methylnona-2,4-dienoate
SMILESCOCO[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@H](C)/C=C/C=C\C(=O)OC
InChIInChI=1S/C19H36O5Si/c1-16(11-9-10-12-18(20)22-6)17(23-15-21-5)13-14-24-25(7,8)19(2,3)4/h9-12,16-17H,13-15H2,1-8H3/b11-9+,12-10-/t16-,17+/m1/s1
InChIKeyAMZVGPWYJSIISW-ACKNBVCGSA-N
XLogP4.31
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z,4E,6R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6-methylnona-2,4-dienoate?
The IUPAC name of methyl (2Z,4E,6R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6-methylnona-2,4-dienoate (CID 15981705) is methyl (2Z,4E,6R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6-methylnona-2,4-dienoate.
What is the SMILES notation for methyl (2Z,4E,6R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6-methylnona-2,4-dienoate?
The canonical SMILES for methyl (2Z,4E,6R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6-methylnona-2,4-dienoate is COCO[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@H](C)/C=C/C=C\C(=O)OC.
What is the InChIKey of methyl (2Z,4E,6R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6-methylnona-2,4-dienoate?
The InChIKey is AMZVGPWYJSIISW-ACKNBVCGSA-N. The full InChI is InChI=1S/C19H36O5Si/c1-16(11-9-10-12-18(20)22-6)17(23-15-21-5)13-14-24-25(7,8)19(2,3)4/h9-12,16-17H,13-15H2,1-8H3/b11-9+,12-10-/t16-,17+/m1/s1.
What are the key properties of methyl (2Z,4E,6R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6-methylnona-2,4-dienoate?
methyl (2Z,4E,6R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6-methylnona-2,4-dienoate has a molecular weight of 372.58 g/mol, XLogP of 4.31, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z,4E,6R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6-methylnona-2,4-dienoate is sourced from PubChem (CID 15981705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).