tert-butyl [(2E)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhexa-2,5-dienyl] carbonate

C18H34O4Si — CID 11382296

IUPACtert-butyl [(2E)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhexa-2,5-dienyl] carbonate
SMILESC=CC/C(C)=C(\COC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O4Si/c1-11-12-14(2)15(22-23(9,10)18(6,7)8)13-20-16(19)21-17(3,4)5/h11H,1,12-13H2,2-10H3/b15-14+
InChIKeyZTOPVHRZZGAUEM-CCEZHUSRSA-N
MW342.55 g/mol
LogP5.81
Rot. Bonds6

About tert-butyl [(2E)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhexa-2,5-dienyl] carbonate

tert-butyl [(2E)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhexa-2,5-dienyl] carbonate (PubChem CID 11382296) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is tert-butyl [(2E)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhexa-2,5-dienyl] carbonate.

Molecular Properties

Compound Nametert-butyl [(2E)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhexa-2,5-dienyl] carbonate
PubChem CID11382296
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Nametert-butyl [(2E)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhexa-2,5-dienyl] carbonate
SMILESC=CC/C(C)=C(\COC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O4Si/c1-11-12-14(2)15(22-23(9,10)18(6,7)8)13-20-16(19)21-17(3,4)5/h11H,1,12-13H2,2-10H3/b15-14+
InChIKeyZTOPVHRZZGAUEM-CCEZHUSRSA-N
XLogP5.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.55
LogP ≤ 55.81
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl [(2E)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhexa-2,5-dienyl] carbonate?
The IUPAC name of tert-butyl [(2E)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhexa-2,5-dienyl] carbonate (CID 11382296) is tert-butyl [(2E)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhexa-2,5-dienyl] carbonate.
What is the SMILES notation for tert-butyl [(2E)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhexa-2,5-dienyl] carbonate?
The canonical SMILES for tert-butyl [(2E)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhexa-2,5-dienyl] carbonate is C=CC/C(C)=C(\COC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl [(2E)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhexa-2,5-dienyl] carbonate?
The InChIKey is ZTOPVHRZZGAUEM-CCEZHUSRSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-11-12-14(2)15(22-23(9,10)18(6,7)8)13-20-16(19)21-17(3,4)5/h11H,1,12-13H2,2-10H3/b15-14+.
What are the key properties of tert-butyl [(2E)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhexa-2,5-dienyl] carbonate?
tert-butyl [(2E)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhexa-2,5-dienyl] carbonate has a molecular weight of 342.55 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(2E)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhexa-2,5-dienyl] carbonate is sourced from PubChem (CID 11382296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).