[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl] methyl carbonate

C13H24O4Si — CID 134813783

IUPAC[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl] methyl carbonate
SMILESC=C(/C=C/COC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O4Si/c1-11(9-8-10-16-12(14)15-5)17-18(6,7)13(2,3)4/h8-9H,1,10H2,2-7H3/b9-8+
InChIKeyBONPEYSABZSVEX-CMDGGOBGSA-N
MW272.42 g/mol
LogP3.86
Rot. Bonds5

About [(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl] methyl carbonate

[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl] methyl carbonate (PubChem CID 134813783) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is [(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl] methyl carbonate.

Molecular Properties

Compound Name[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl] methyl carbonate
PubChem CID134813783
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Name[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl] methyl carbonate
SMILESC=C(/C=C/COC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O4Si/c1-11(9-8-10-16-12(14)15-5)17-18(6,7)13(2,3)4/h8-9H,1,10H2,2-7H3/b9-8+
InChIKeyBONPEYSABZSVEX-CMDGGOBGSA-N
XLogP3.86
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.86
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(2Z,4E)-2,3-dimethyl-5-trimethylsilylpenta-2,4-dienyl] methyl carbonate
CID 101483185
[(1E,3E)-5-(2-methoxypropan-2-yloxy)penta-1,3-dienyl]-trimethylsilane
CID 11229932
[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate
CID 15326321
[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] methyl carbonate
CID 45139529
methyl [(Z)-4-triethylsilyloxybut-2-enyl] carbonate
CID 101808141
(2E,4Z)-4-((tert-butyldimethylsilyl)oxy)nona-2,4,8-trien-1-yl methyl carbonate
CID 134813865
(E)-methyl (4-((trimethylsilyl)oxy)penta-2,4-dien-1-yl) carbonate
CID 134813875
methyl [(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] carbonate
CID 139253707
[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl] methyl carbonate
CID 176426920
[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] ethyl carbonate
CID 11129509
methyl [(Z)-4-trimethylsilylbut-2-enyl] carbonate
CID 59558915
tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate
CID 59981762

Frequently Asked Questions

What is the IUPAC name of [(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl] methyl carbonate?
The IUPAC name of [(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl] methyl carbonate (CID 134813783) is [(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl] methyl carbonate.
What is the SMILES notation for [(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl] methyl carbonate?
The canonical SMILES for [(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl] methyl carbonate is C=C(/C=C/COC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl] methyl carbonate?
The InChIKey is BONPEYSABZSVEX-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-11(9-8-10-16-12(14)15-5)17-18(6,7)13(2,3)4/h8-9H,1,10H2,2-7H3/b9-8+.
What are the key properties of [(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl] methyl carbonate?
[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl] methyl carbonate has a molecular weight of 272.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl] methyl carbonate is sourced from PubChem (CID 134813783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).