[(4E,6E,8E)-12-tri(propan-2-yl)silyloxydodeca-4,6,8-trienyl] acetate

C23H42O3Si — CID 15605886

IUPAC[(4E,6E,8E)-12-tri(propan-2-yl)silyloxydodeca-4,6,8-trienyl] acetate
SMILESCC(=O)OCCC/C=C/C=C/C=C/CCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H42O3Si/c1-20(2)27(21(3)4,22(5)6)26-19-17-15-13-11-9-8-10-12-14-16-18-25-23(7)24/h8-13,20-22H,14-19H2,1-7H3/b9-8+,12-10+,13-11+
InChIKeyAXHKTOWBZLRHGI-YIDQAKLOSA-N
MW394.67 g/mol
LogP6.97
Rot. Bonds14

About [(4E,6E,8E)-12-tri(propan-2-yl)silyloxydodeca-4,6,8-trienyl] acetate

[(4E,6E,8E)-12-tri(propan-2-yl)silyloxydodeca-4,6,8-trienyl] acetate (PubChem CID 15605886) has the molecular formula C23H42O3Si and a molecular weight of 394.67 g/mol. Its IUPAC name is [(4E,6E,8E)-12-tri(propan-2-yl)silyloxydodeca-4,6,8-trienyl] acetate.

Molecular Properties

Compound Name[(4E,6E,8E)-12-tri(propan-2-yl)silyloxydodeca-4,6,8-trienyl] acetate
PubChem CID15605886
Molecular FormulaC23H42O3Si
Molecular Weight394.67 g/mol
Exact Mass394.29
IUPAC Name[(4E,6E,8E)-12-tri(propan-2-yl)silyloxydodeca-4,6,8-trienyl] acetate
SMILESCC(=O)OCCC/C=C/C=C/C=C/CCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H42O3Si/c1-20(2)27(21(3)4,22(5)6)26-19-17-15-13-11-9-8-10-12-14-16-18-25-23(7)24/h8-13,20-22H,14-19H2,1-7H3/b9-8+,12-10+,13-11+
InChIKeyAXHKTOWBZLRHGI-YIDQAKLOSA-N
XLogP6.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.67
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 [(4E,6E,8E)-12-tri(propan-2-yl)silyloxydodeca-4,6,8-trienyl] acetate?
The IUPAC name of [(4E,6E,8E)-12-tri(propan-2-yl)silyloxydodeca-4,6,8-trienyl] acetate (CID 15605886) is [(4E,6E,8E)-12-tri(propan-2-yl)silyloxydodeca-4,6,8-trienyl] acetate.
What is the SMILES notation for [(4E,6E,8E)-12-tri(propan-2-yl)silyloxydodeca-4,6,8-trienyl] acetate?
The canonical SMILES for [(4E,6E,8E)-12-tri(propan-2-yl)silyloxydodeca-4,6,8-trienyl] acetate is CC(=O)OCCC/C=C/C=C/C=C/CCCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(4E,6E,8E)-12-tri(propan-2-yl)silyloxydodeca-4,6,8-trienyl] acetate?
The InChIKey is AXHKTOWBZLRHGI-YIDQAKLOSA-N. The full InChI is InChI=1S/C23H42O3Si/c1-20(2)27(21(3)4,22(5)6)26-19-17-15-13-11-9-8-10-12-14-16-18-25-23(7)24/h8-13,20-22H,14-19H2,1-7H3/b9-8+,12-10+,13-11+.
What are the key properties of [(4E,6E,8E)-12-tri(propan-2-yl)silyloxydodeca-4,6,8-trienyl] acetate?
[(4E,6E,8E)-12-tri(propan-2-yl)silyloxydodeca-4,6,8-trienyl] acetate has a molecular weight of 394.67 g/mol, XLogP of 6.97, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E,6E,8E)-12-tri(propan-2-yl)silyloxydodeca-4,6,8-trienyl] acetate is sourced from PubChem (CID 15605886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).