[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxan-2-yl)hepta-2,4-dienyl] methyl carbonate

C19H34O6Si — CID 134813850

IUPAC[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxan-2-yl)hepta-2,4-dienyl] methyl carbonate
SMILESCOC(=O)OC/C=C/C(=C/CCC1OCCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O6Si/c1-19(2,3)26(5,6)25-16(11-8-13-24-18(20)21-4)10-7-12-17-22-14-9-15-23-17/h8,10-11,17H,7,9,12-15H2,1-6H3/b11-8+,16-10-
InChIKeyFPHNKMZUCXBEHP-LNFYBHGTSA-N
MW386.56 g/mol
LogP4.77
Rot. Bonds8

About [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxan-2-yl)hepta-2,4-dienyl] methyl carbonate

[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxan-2-yl)hepta-2,4-dienyl] methyl carbonate (PubChem CID 134813850) has the molecular formula C19H34O6Si and a molecular weight of 386.56 g/mol. Its IUPAC name is [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxan-2-yl)hepta-2,4-dienyl] methyl carbonate.

Molecular Properties

Compound Name[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxan-2-yl)hepta-2,4-dienyl] methyl carbonate
PubChem CID134813850
Molecular FormulaC19H34O6Si
Molecular Weight386.56 g/mol
Exact Mass386.21
IUPAC Name[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxan-2-yl)hepta-2,4-dienyl] methyl carbonate
SMILESCOC(=O)OC/C=C/C(=C/CCC1OCCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O6Si/c1-19(2,3)26(5,6)25-16(11-8-13-24-18(20)21-4)10-7-12-17-22-14-9-15-23-17/h8,10-11,17H,7,9,12-15H2,1-6H3/b11-8+,16-10-
InChIKeyFPHNKMZUCXBEHP-LNFYBHGTSA-N
XLogP4.77
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxan-2-yl)hepta-2,4-dienyl] methyl carbonate?
The IUPAC name of [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxan-2-yl)hepta-2,4-dienyl] methyl carbonate (CID 134813850) is [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxan-2-yl)hepta-2,4-dienyl] methyl carbonate.
What is the SMILES notation for [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxan-2-yl)hepta-2,4-dienyl] methyl carbonate?
The canonical SMILES for [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxan-2-yl)hepta-2,4-dienyl] methyl carbonate is COC(=O)OC/C=C/C(=C/CCC1OCCCO1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxan-2-yl)hepta-2,4-dienyl] methyl carbonate?
The InChIKey is FPHNKMZUCXBEHP-LNFYBHGTSA-N. The full InChI is InChI=1S/C19H34O6Si/c1-19(2,3)26(5,6)25-16(11-8-13-24-18(20)21-4)10-7-12-17-22-14-9-15-23-17/h8,10-11,17H,7,9,12-15H2,1-6H3/b11-8+,16-10-.
What are the key properties of [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxan-2-yl)hepta-2,4-dienyl] methyl carbonate?
[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxan-2-yl)hepta-2,4-dienyl] methyl carbonate has a molecular weight of 386.56 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxan-2-yl)hepta-2,4-dienyl] methyl carbonate is sourced from PubChem (CID 134813850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).