[(2Z,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate

C23H42O3Si — CID 86742994

IUPAC[(2Z,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate
SMILESC=C(C)C(CC/C(C)=C/CC/C(C)=C\COC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H42O3Si/c1-18(2)22(26-27(9,10)23(6,7)8)15-14-19(3)12-11-13-20(4)16-17-25-21(5)24/h12,16,22H,1,11,13-15,17H2,2-10H3/b19-12+,20-16-
InChIKeyAWKUKUPGTIBTBT-LULTWYLNSA-N
MW394.67 g/mol
LogP6.97
Rot. Bonds11

About [(2Z,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate

[(2Z,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate (PubChem CID 86742994) has the molecular formula C23H42O3Si and a molecular weight of 394.67 g/mol. Its IUPAC name is [(2Z,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate.

Molecular Properties

Compound Name[(2Z,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate
PubChem CID86742994
Molecular FormulaC23H42O3Si
Molecular Weight394.67 g/mol
Exact Mass394.29
IUPAC Name[(2Z,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate
SMILESC=C(C)C(CC/C(C)=C/CC/C(C)=C\COC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H42O3Si/c1-18(2)22(26-27(9,10)23(6,7)8)15-14-19(3)12-11-13-20(4)16-17-25-21(5)24/h12,16,22H,1,11,13-15,17H2,2-10H3/b19-12+,20-16-
InChIKeyAWKUKUPGTIBTBT-LULTWYLNSA-N
XLogP6.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2Z,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2Z,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate?
The IUPAC name of [(2Z,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate (CID 86742994) is [(2Z,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate.
What is the SMILES notation for [(2Z,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate?
The canonical SMILES for [(2Z,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate is C=C(C)C(CC/C(C)=C/CC/C(C)=C\COC(C)=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2Z,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate?
The InChIKey is AWKUKUPGTIBTBT-LULTWYLNSA-N. The full InChI is InChI=1S/C23H42O3Si/c1-18(2)22(26-27(9,10)23(6,7)8)15-14-19(3)12-11-13-20(4)16-17-25-21(5)24/h12,16,22H,1,11,13-15,17H2,2-10H3/b19-12+,20-16-.
What are the key properties of [(2Z,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate?
[(2Z,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate has a molecular weight of 394.67 g/mol, XLogP of 6.97, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate is sourced from PubChem (CID 86742994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).