[(2Z,4S,5S,6Z)-8-acetyloxy-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienyl] acetate

C24H46O6Si2 — CID 14737941

IUPAC[(2Z,4S,5S,6Z)-8-acetyloxy-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienyl] acetate
SMILESCC(=O)OC/C=C\[C@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C\COC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H46O6Si2/c1-19(25)27-17-13-15-21(29-31(9,10)23(3,4)5)22(16-14-18-28-20(2)26)30-32(11,12)24(6,7)8/h13-16,21-22H,17-18H2,1-12H3/b15-13-,16-14-/t21-,22-/m0/s1
InChIKeyMVKVAGNCWWCQLG-NDEBMARISA-N
MW486.80 g/mol
LogP6.01
Rot. Bonds11

About [(2Z,4S,5S,6Z)-8-acetyloxy-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienyl] acetate

[(2Z,4S,5S,6Z)-8-acetyloxy-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienyl] acetate (PubChem CID 14737941) has the molecular formula C24H46O6Si2 and a molecular weight of 486.80 g/mol. Its IUPAC name is [(2Z,4S,5S,6Z)-8-acetyloxy-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienyl] acetate.

Molecular Properties

Compound Name[(2Z,4S,5S,6Z)-8-acetyloxy-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienyl] acetate
PubChem CID14737941
Molecular FormulaC24H46O6Si2
Molecular Weight486.80 g/mol
Exact Mass486.28
IUPAC Name[(2Z,4S,5S,6Z)-8-acetyloxy-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienyl] acetate
SMILESCC(=O)OC/C=C\[C@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C\COC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H46O6Si2/c1-19(25)27-17-13-15-21(29-31(9,10)23(3,4)5)22(16-14-18-28-20(2)26)30-32(11,12)24(6,7)8/h13-16,21-22H,17-18H2,1-12H3/b15-13-,16-14-/t21-,22-/m0/s1
InChIKeyMVKVAGNCWWCQLG-NDEBMARISA-N
XLogP6.01
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.80
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2Z,4S,5S,6Z)-8-acetyloxy-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienyl] acetate with MolForge

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Related Compounds

[(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate
CID 134946270
[(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dienyl] acetate
CID 134971110
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
ethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate
CID 5468979
(4S,8-diacetyloxy-2,6-octadiene
CID 5468986
ethyl (Z)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-fluoropent-2-enoate
CID 89641720
diethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate
CID 10838660
[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylhept-3-en-2-yl] acetate
CID 10859995
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydropyran-6-one
CID 10955748
(1S,6Z,8R,10S,12Z)-10-[tri(propan-2-yl)silyloxymethyl]-2,9-dioxabicyclo[6.6.0]tetradeca-6,12-dien-3-one
CID 11112024
ethyl (E,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enoate
CID 11825882
ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 14260361

Frequently Asked Questions

What is the IUPAC name of [(2Z,4S,5S,6Z)-8-acetyloxy-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienyl] acetate?
The IUPAC name of [(2Z,4S,5S,6Z)-8-acetyloxy-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienyl] acetate (CID 14737941) is [(2Z,4S,5S,6Z)-8-acetyloxy-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienyl] acetate.
What is the SMILES notation for [(2Z,4S,5S,6Z)-8-acetyloxy-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienyl] acetate?
The canonical SMILES for [(2Z,4S,5S,6Z)-8-acetyloxy-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienyl] acetate is CC(=O)OC/C=C\[C@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C\COC(C)=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2Z,4S,5S,6Z)-8-acetyloxy-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienyl] acetate?
The InChIKey is MVKVAGNCWWCQLG-NDEBMARISA-N. The full InChI is InChI=1S/C24H46O6Si2/c1-19(25)27-17-13-15-21(29-31(9,10)23(3,4)5)22(16-14-18-28-20(2)26)30-32(11,12)24(6,7)8/h13-16,21-22H,17-18H2,1-12H3/b15-13-,16-14-/t21-,22-/m0/s1.
What are the key properties of [(2Z,4S,5S,6Z)-8-acetyloxy-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienyl] acetate?
[(2Z,4S,5S,6Z)-8-acetyloxy-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienyl] acetate has a molecular weight of 486.80 g/mol, XLogP of 6.01, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4S,5S,6Z)-8-acetyloxy-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienyl] acetate is sourced from PubChem (CID 14737941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).