methyl (2Z,4Z)-3,5-bis(trimethylsilyloxy)hexa-2,4-dienoate

C13H26O4Si2 — CID 102509762

IUPACmethyl (2Z,4Z)-3,5-bis(trimethylsilyloxy)hexa-2,4-dienoate
SMILESCOC(=O)/C=C(/C=C(/C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H26O4Si2/c1-11(16-18(3,4)5)9-12(10-13(14)15-2)17-19(6,7)8/h9-10H,1-8H3/b11-9-,12-10-
InChIKeyNOXNGUYTZGGGSC-HWAYABPNSA-N
MW302.52 g/mol
LogP3.65
Rot. Bonds6

About methyl (2Z,4Z)-3,5-bis(trimethylsilyloxy)hexa-2,4-dienoate

methyl (2Z,4Z)-3,5-bis(trimethylsilyloxy)hexa-2,4-dienoate (PubChem CID 102509762) has the molecular formula C13H26O4Si2 and a molecular weight of 302.52 g/mol. Its IUPAC name is methyl (2Z,4Z)-3,5-bis(trimethylsilyloxy)hexa-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2Z,4Z)-3,5-bis(trimethylsilyloxy)hexa-2,4-dienoate
PubChem CID102509762
Molecular FormulaC13H26O4Si2
Molecular Weight302.52 g/mol
Exact Mass302.14
IUPAC Namemethyl (2Z,4Z)-3,5-bis(trimethylsilyloxy)hexa-2,4-dienoate
SMILESCOC(=O)/C=C(/C=C(/C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H26O4Si2/c1-11(16-18(3,4)5)9-12(10-13(14)15-2)17-19(6,7)8/h9-10H,1-8H3/b11-9-,12-10-
InChIKeyNOXNGUYTZGGGSC-HWAYABPNSA-N
XLogP3.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.52
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-(Trimethylsilyloxy)-2-butenoic Acid Methyl Ester
CID 2733746
Methyl 3-((trimethylsilyl)oxy)-2-butenoate
CID 5702587
Methyl 3-((trimethylsilyl)oxy)but-2-enoate
CID 6115690
6-Methyl-4-trimethylsilyloxypyran-2-one
CID 13679171
Ethyl (2Z)-3-[(trimethylsilyl)oxy]but-2-enoate
CID 11084906
Ethyl 3-{[diethoxy(methyl)silyl]oxy}but-2-enoate
CID 102398
methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate
CID 10538148
4-Trimethylsilyloxypyran-2-one
CID 13679169
methyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate
CID 71567020
Methyl 4-trimethylsilyl-3-trimethylsilyloxybut-2-enoate
CID 86021519
methyl (2Z,4E)-3-trimethylsilyloxyhexa-2,4-dienoate
CID 134889218
methyl (2Z)-3-trimethylsilyloxypenta-2,4-dienoate
CID 134900752

Frequently Asked Questions

What is the IUPAC name of methyl (2Z,4Z)-3,5-bis(trimethylsilyloxy)hexa-2,4-dienoate?
The IUPAC name of methyl (2Z,4Z)-3,5-bis(trimethylsilyloxy)hexa-2,4-dienoate (CID 102509762) is methyl (2Z,4Z)-3,5-bis(trimethylsilyloxy)hexa-2,4-dienoate.
What is the SMILES notation for methyl (2Z,4Z)-3,5-bis(trimethylsilyloxy)hexa-2,4-dienoate?
The canonical SMILES for methyl (2Z,4Z)-3,5-bis(trimethylsilyloxy)hexa-2,4-dienoate is COC(=O)/C=C(/C=C(/C)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of methyl (2Z,4Z)-3,5-bis(trimethylsilyloxy)hexa-2,4-dienoate?
The InChIKey is NOXNGUYTZGGGSC-HWAYABPNSA-N. The full InChI is InChI=1S/C13H26O4Si2/c1-11(16-18(3,4)5)9-12(10-13(14)15-2)17-19(6,7)8/h9-10H,1-8H3/b11-9-,12-10-.
What are the key properties of methyl (2Z,4Z)-3,5-bis(trimethylsilyloxy)hexa-2,4-dienoate?
methyl (2Z,4Z)-3,5-bis(trimethylsilyloxy)hexa-2,4-dienoate has a molecular weight of 302.52 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z,4Z)-3,5-bis(trimethylsilyloxy)hexa-2,4-dienoate is sourced from PubChem (CID 102509762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).