[(2E,6E)-8-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyocta-2,6-dienyl] acetate

C18H32O6Si — CID 6367320

IUPAC[(2E,6E)-8-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyocta-2,6-dienyl] acetate
SMILESCC(=O)OC/C=C/C(O)C(/C=C/COC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O6Si/c1-14(19)22-12-8-10-16(21)17(11-9-13-23-15(2)20)24-25(6,7)18(3,4)5/h8-11,16-17,21H,12-13H2,1-7H3/b10-8+,11-9+
InChIKeyXRPIUKCIFUBHHO-GFULKKFKSA-N
MW372.53 g/mol
LogP2.98
Rot. Bonds9

About [(2E,6E)-8-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyocta-2,6-dienyl] acetate

[(2E,6E)-8-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyocta-2,6-dienyl] acetate (PubChem CID 6367320) has the molecular formula C18H32O6Si and a molecular weight of 372.53 g/mol. Its IUPAC name is [(2E,6E)-8-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyocta-2,6-dienyl] acetate.

Molecular Properties

Compound Name[(2E,6E)-8-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyocta-2,6-dienyl] acetate
PubChem CID6367320
Molecular FormulaC18H32O6Si
Molecular Weight372.53 g/mol
Exact Mass372.20
IUPAC Name[(2E,6E)-8-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyocta-2,6-dienyl] acetate
SMILESCC(=O)OC/C=C/C(O)C(/C=C/COC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O6Si/c1-14(19)22-12-8-10-16(21)17(11-9-13-23-15(2)20)24-25(6,7)18(3,4)5/h8-11,16-17,21H,12-13H2,1-7H3/b10-8+,11-9+
InChIKeyXRPIUKCIFUBHHO-GFULKKFKSA-N
XLogP2.98
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol
CID 10706254
(2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxyundeca-2,6-dien-5-ol
CID 10334877
methyl (2S,3R,4E,6E)-8-acetyloxy-2-(4-bromophenyl)-3-[tert-butyl(dimethyl)silyl]oxyocta-4,6-dienoate
CID 11733768
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enoate
CID 11601855
[(Z,4S)-4,5-dihydroxypent-2-enyl] acetate
CID 11040986
methyl (2E,4S,5R,6E)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylocta-2,6-dienoate
CID 102043881
ethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate
CID 101498297
ethyl (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-6,6-dimethylhept-4-enoate
CID 101498298
(1E,3S,4R,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-bis(tributylstannyl)hexa-1,5-dien-3-ol
CID 177475405
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol
CID 14175294
(1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol
CID 102328317
[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] ethyl carbonate
CID 53231197

Frequently Asked Questions

What is the IUPAC name of [(2E,6E)-8-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyocta-2,6-dienyl] acetate?
The IUPAC name of [(2E,6E)-8-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyocta-2,6-dienyl] acetate (CID 6367320) is [(2E,6E)-8-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyocta-2,6-dienyl] acetate.
What is the SMILES notation for [(2E,6E)-8-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyocta-2,6-dienyl] acetate?
The canonical SMILES for [(2E,6E)-8-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyocta-2,6-dienyl] acetate is CC(=O)OC/C=C/C(O)C(/C=C/COC(C)=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2E,6E)-8-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyocta-2,6-dienyl] acetate?
The InChIKey is XRPIUKCIFUBHHO-GFULKKFKSA-N. The full InChI is InChI=1S/C18H32O6Si/c1-14(19)22-12-8-10-16(21)17(11-9-13-23-15(2)20)24-25(6,7)18(3,4)5/h8-11,16-17,21H,12-13H2,1-7H3/b10-8+,11-9+.
What are the key properties of [(2E,6E)-8-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyocta-2,6-dienyl] acetate?
[(2E,6E)-8-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyocta-2,6-dienyl] acetate has a molecular weight of 372.53 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,6E)-8-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyocta-2,6-dienyl] acetate is sourced from PubChem (CID 6367320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).