methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate

C20H38O5Si — CID 5364267

IUPACmethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate
SMILESCOCOCC(C)C(O[Si](C)(C)C(C)(C)C)C(C)/C=C/C=C/C(=O)OC
InChIInChI=1S/C20H38O5Si/c1-16(12-10-11-13-18(21)23-7)19(17(2)14-24-15-22-6)25-26(8,9)20(3,4)5/h10-13,16-17,19H,14-15H2,1-9H3/b12-10+,13-11+
InChIKeyJMPNGUACKBQAPH-DCIPZJNNSA-N
MW386.61 g/mol
LogP4.55
Rot. Bonds11

About methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate

methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate (PubChem CID 5364267) has the molecular formula C20H38O5Si and a molecular weight of 386.61 g/mol. Its IUPAC name is methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate
PubChem CID5364267
Molecular FormulaC20H38O5Si
Molecular Weight386.61 g/mol
Exact Mass386.25
IUPAC Namemethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate
SMILESCOCOCC(C)C(O[Si](C)(C)C(C)(C)C)C(C)/C=C/C=C/C(=O)OC
InChIInChI=1S/C20H38O5Si/c1-16(12-10-11-13-18(21)23-7)19(17(2)14-24-15-22-6)25-26(8,9)20(3,4)5/h10-13,16-17,19H,14-15H2,1-9H3/b12-10+,13-11+
InChIKeyJMPNGUACKBQAPH-DCIPZJNNSA-N
XLogP4.55
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.61
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

ethyl (2E,4S,5S,6R,8E,10E)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyldodeca-2,8,10-trienoate
CID 71546755
ethyl (2E,4S,6S,7S,8Z,10E,12E)-9-bromo-14-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-2,4,6,12-tetramethyltetradeca-2,8,10,12-tetraenoate
CID 10650774
ethyl (E,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylhept-2-enoate
CID 11080521
methyl (2E,5R,6S,7S,8E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dienoate
CID 11259620
methyl (E,4R,5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6-dimethylhept-2-enoate
CID 11290062
ethyl (2Z,4E,6R,7S)-7,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnona-2,4-dienoate
CID 11619467
methyl (E,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-5-triethylsilyloxypent-2-enoate
CID 11624652
ethyl (2E,4E,6E,8S,9R,10S,11S)-9-[tert-butyl(dimethyl)silyl]oxy-8,10-dimethyl-11-(oxan-2-yloxy)dodeca-2,4,6-trienoate
CID 14081619
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enoate
CID 14379849
methyl (2Z,4E,6R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6-methylnona-2,4-dienoate
CID 15981705
methyl (2Z,4E,6R,7S)-7,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnona-2,4-dienoate
CID 25022837
methyl (2Z,4E,6R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-6-methylnona-2,4-dienoate
CID 25022838

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate?
The IUPAC name of methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate (CID 5364267) is methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate.
What is the SMILES notation for methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate?
The canonical SMILES for methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate is COCOCC(C)C(O[Si](C)(C)C(C)(C)C)C(C)/C=C/C=C/C(=O)OC.
What is the InChIKey of methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate?
The InChIKey is JMPNGUACKBQAPH-DCIPZJNNSA-N. The full InChI is InChI=1S/C20H38O5Si/c1-16(12-10-11-13-18(21)23-7)19(17(2)14-24-15-22-6)25-26(8,9)20(3,4)5/h10-13,16-17,19H,14-15H2,1-9H3/b12-10+,13-11+.
What are the key properties of methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate?
methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate has a molecular weight of 386.61 g/mol, XLogP of 4.55, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate is sourced from PubChem (CID 5364267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).