methyl 4-[[(4R,5S)-5-ethenyl-2,2,6,6-tetramethyl-1,3-dioxan-4-yl]methyl]-6-ethoxy-6-trimethylsilyloxyhexa-4,5-dienoate

C23H40O6Si — CID 10252708

IUPACmethyl 4-[[(4R,5S)-5-ethenyl-2,2,6,6-tetramethyl-1,3-dioxan-4-yl]methyl]-6-ethoxy-6-trimethylsilyloxyhexa-4,5-dienoate
SMILESC=C[C@H]1[C@@H](CC(=C=C(OCC)O[Si](C)(C)C)CCC(=O)OC)OC(C)(C)OC1(C)C
InChIInChI=1S/C23H40O6Si/c1-11-18-19(27-23(5,6)29-22(18,3)4)15-17(13-14-20(24)25-7)16-21(26-12-2)28-30(8,9)10/h11,18-19H,1,12-15H2,2-10H3/t16?,18-,19+/m0/s1
InChIKeyAWGKDNUEYARBOY-NGFYBIIMSA-N
MW440.65 g/mol
LogP5.32
Rot. Bonds10

About methyl 4-[[(4R,5S)-5-ethenyl-2,2,6,6-tetramethyl-1,3-dioxan-4-yl]methyl]-6-ethoxy-6-trimethylsilyloxyhexa-4,5-dienoate

methyl 4-[[(4R,5S)-5-ethenyl-2,2,6,6-tetramethyl-1,3-dioxan-4-yl]methyl]-6-ethoxy-6-trimethylsilyloxyhexa-4,5-dienoate (PubChem CID 10252708) has the molecular formula C23H40O6Si and a molecular weight of 440.65 g/mol. Its IUPAC name is methyl 4-[[(4R,5S)-5-ethenyl-2,2,6,6-tetramethyl-1,3-dioxan-4-yl]methyl]-6-ethoxy-6-trimethylsilyloxyhexa-4,5-dienoate.

Molecular Properties

Compound Namemethyl 4-[[(4R,5S)-5-ethenyl-2,2,6,6-tetramethyl-1,3-dioxan-4-yl]methyl]-6-ethoxy-6-trimethylsilyloxyhexa-4,5-dienoate
PubChem CID10252708
Molecular FormulaC23H40O6Si
Molecular Weight440.65 g/mol
Exact Mass440.26
IUPAC Namemethyl 4-[[(4R,5S)-5-ethenyl-2,2,6,6-tetramethyl-1,3-dioxan-4-yl]methyl]-6-ethoxy-6-trimethylsilyloxyhexa-4,5-dienoate
SMILESC=C[C@H]1[C@@H](CC(=C=C(OCC)O[Si](C)(C)C)CCC(=O)OC)OC(C)(C)OC1(C)C
InChIInChI=1S/C23H40O6Si/c1-11-18-19(27-23(5,6)29-22(18,3)4)15-17(13-14-20(24)25-7)16-21(26-12-2)28-30(8,9)10/h11,18-19H,1,12-15H2,2-10H3/t16?,18-,19+/m0/s1
InChIKeyAWGKDNUEYARBOY-NGFYBIIMSA-N
XLogP5.32
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.65
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 4-[[(4R,5S)-5-ethenyl-2,2,6,6-tetramethyl-1,3-dioxan-4-yl]methyl]-6-ethoxy-6-trimethylsilyloxyhexa-4,5-dienoate with MolForge

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Related Compounds

methyl (6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-6-(2-methyloxiran-2-yl)non-8-enoate
CID 10006639
methyl 4-[[(4S,5S)-5-ethenyl-2,2,6,6-tetramethyl-1,3-dioxan-4-yl]methyl]-6-ethoxy-6-trimethylsilyloxyhexa-4,5-dienoate
CID 10478447
tert-butyl (6R)-8-[(4S,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]-6-methyloctanoate
CID 10666743
tert-butyl (6R,9S)-9-[diethyl(propan-2-yl)silyl]oxy-6-methyldodec-11-enoate
CID 10764187
Ethyl 2-prop-2-enyl-2-trimethylsilyloxycyclododecane-1-carboxylate
CID 11014077
methyl (2S)-2-[(2S,5S,6S)-6-[(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-2-yl]-5-methyloxan-2-yl]propanoate
CID 11475450

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(4R,5S)-5-ethenyl-2,2,6,6-tetramethyl-1,3-dioxan-4-yl]methyl]-6-ethoxy-6-trimethylsilyloxyhexa-4,5-dienoate?
The IUPAC name of methyl 4-[[(4R,5S)-5-ethenyl-2,2,6,6-tetramethyl-1,3-dioxan-4-yl]methyl]-6-ethoxy-6-trimethylsilyloxyhexa-4,5-dienoate (CID 10252708) is methyl 4-[[(4R,5S)-5-ethenyl-2,2,6,6-tetramethyl-1,3-dioxan-4-yl]methyl]-6-ethoxy-6-trimethylsilyloxyhexa-4,5-dienoate.
What is the SMILES notation for methyl 4-[[(4R,5S)-5-ethenyl-2,2,6,6-tetramethyl-1,3-dioxan-4-yl]methyl]-6-ethoxy-6-trimethylsilyloxyhexa-4,5-dienoate?
The canonical SMILES for methyl 4-[[(4R,5S)-5-ethenyl-2,2,6,6-tetramethyl-1,3-dioxan-4-yl]methyl]-6-ethoxy-6-trimethylsilyloxyhexa-4,5-dienoate is C=C[C@H]1[C@@H](CC(=C=C(OCC)O[Si](C)(C)C)CCC(=O)OC)OC(C)(C)OC1(C)C.
What is the InChIKey of methyl 4-[[(4R,5S)-5-ethenyl-2,2,6,6-tetramethyl-1,3-dioxan-4-yl]methyl]-6-ethoxy-6-trimethylsilyloxyhexa-4,5-dienoate?
The InChIKey is AWGKDNUEYARBOY-NGFYBIIMSA-N. The full InChI is InChI=1S/C23H40O6Si/c1-11-18-19(27-23(5,6)29-22(18,3)4)15-17(13-14-20(24)25-7)16-21(26-12-2)28-30(8,9)10/h11,18-19H,1,12-15H2,2-10H3/t16?,18-,19+/m0/s1.
What are the key properties of methyl 4-[[(4R,5S)-5-ethenyl-2,2,6,6-tetramethyl-1,3-dioxan-4-yl]methyl]-6-ethoxy-6-trimethylsilyloxyhexa-4,5-dienoate?
methyl 4-[[(4R,5S)-5-ethenyl-2,2,6,6-tetramethyl-1,3-dioxan-4-yl]methyl]-6-ethoxy-6-trimethylsilyloxyhexa-4,5-dienoate has a molecular weight of 440.65 g/mol, XLogP of 5.32, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(4R,5S)-5-ethenyl-2,2,6,6-tetramethyl-1,3-dioxan-4-yl]methyl]-6-ethoxy-6-trimethylsilyloxyhexa-4,5-dienoate is sourced from PubChem (CID 10252708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).