[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxynona-2,4,8-trienyl] methyl carbonate

C17H30O4Si — CID 134813865

IUPAC[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxynona-2,4,8-trienyl] methyl carbonate
SMILESC=CCC/C=C(/C=C/COC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O4Si/c1-8-9-10-12-15(13-11-14-20-16(18)19-5)21-22(6,7)17(2,3)4/h8,11-13H,1,9-10,14H2,2-7H3/b13-11+,15-12-
InChIKeyHLCNOKSNDLITIF-DZIWGARNSA-N
MW326.51 g/mol
LogP5.20
Rot. Bonds8

About [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxynona-2,4,8-trienyl] methyl carbonate

[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxynona-2,4,8-trienyl] methyl carbonate (PubChem CID 134813865) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxynona-2,4,8-trienyl] methyl carbonate.

Molecular Properties

Compound Name[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxynona-2,4,8-trienyl] methyl carbonate
PubChem CID134813865
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Name[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxynona-2,4,8-trienyl] methyl carbonate
SMILESC=CCC/C=C(/C=C/COC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O4Si/c1-8-9-10-12-15(13-11-14-20-16(18)19-5)21-22(6,7)17(2,3)4/h8,11-13H,1,9-10,14H2,2-7H3/b13-11+,15-12-
InChIKeyHLCNOKSNDLITIF-DZIWGARNSA-N
XLogP5.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.51
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-4-((tert-butyldimethylsilyl)oxy)-8,8,9,9,10,10,10-heptafluorodeca-2,4-dien-1-yl methyl carbonate
CID 134813806
(2E,4Z)-4-((tert-butyldimethylsilyl)oxy)-9-fluoronona-2,4-dien-1-yl methyl carbonate
CID 134813870
[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate
CID 15326321
[(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl] methyl carbonate
CID 24754552
[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate
CID 46702477
(E)-4-((tert-butyldimethylsilyl)oxy)penta-2,4-dien-1-yl methyl carbonate
CID 134813783
(2E,4Z)-4-((tert-butyldimethylsilyl)oxy)-8-methylnona-2,4-dien-1-yl methyl carbonate
CID 134813807
(2E,4Z)-4-((tert-butyldimethylsilyl)oxy)nona-2,4-dien-1-yl methyl carbonate
CID 134813826
(2E,4Z)-4-((tert-butyldimethylsilyl)oxy)-7-(1,3-dioxan-2-yl)hepta-2,4-dien-1-yl methyl carbonate
CID 134813850
methyl [(E)-5-triethylsilyloxypent-2-enyl] carbonate
CID 139253695
tert-butyl-[(2R,5R,6E,8Z)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane;carbon dioxide
CID 158929573
Tert-butyl [3-(2-trimethylsilylethoxymethyl)cyclohexa-1,5-dien-1-yl] carbonate
CID 175778772

Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxynona-2,4,8-trienyl] methyl carbonate?
The IUPAC name of [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxynona-2,4,8-trienyl] methyl carbonate (CID 134813865) is [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxynona-2,4,8-trienyl] methyl carbonate.
What is the SMILES notation for [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxynona-2,4,8-trienyl] methyl carbonate?
The canonical SMILES for [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxynona-2,4,8-trienyl] methyl carbonate is C=CCC/C=C(/C=C/COC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxynona-2,4,8-trienyl] methyl carbonate?
The InChIKey is HLCNOKSNDLITIF-DZIWGARNSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-8-9-10-12-15(13-11-14-20-16(18)19-5)21-22(6,7)17(2,3)4/h8,11-13H,1,9-10,14H2,2-7H3/b13-11+,15-12-.
What are the key properties of [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxynona-2,4,8-trienyl] methyl carbonate?
[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxynona-2,4,8-trienyl] methyl carbonate has a molecular weight of 326.51 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxynona-2,4,8-trienyl] methyl carbonate is sourced from PubChem (CID 134813865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).