[(Z)-20-[tert-butyl(dimethyl)silyl]oxyicos-8-enyl] acetate

C28H56O3Si — CID 170564308

IUPAC[(Z)-20-[tert-butyl(dimethyl)silyl]oxyicos-8-enyl] acetate
SMILESCC(=O)OCCCCCCC/C=C\CCCCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H56O3Si/c1-27(29)30-25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-31-32(5,6)28(2,3)4/h9,11H,7-8,10,12-26H2,1-6H3/b11-9-
InChIKeyUGFXACVDHFVDMM-LUAWRHEFSA-N
MW468.84 g/mol
LogP9.37
Rot. Bonds21

About [(Z)-20-[tert-butyl(dimethyl)silyl]oxyicos-8-enyl] acetate

[(Z)-20-[tert-butyl(dimethyl)silyl]oxyicos-8-enyl] acetate (PubChem CID 170564308) has the molecular formula C28H56O3Si and a molecular weight of 468.84 g/mol. Its IUPAC name is [(Z)-20-[tert-butyl(dimethyl)silyl]oxyicos-8-enyl] acetate.

Molecular Properties

Compound Name[(Z)-20-[tert-butyl(dimethyl)silyl]oxyicos-8-enyl] acetate
PubChem CID170564308
Molecular FormulaC28H56O3Si
Molecular Weight468.84 g/mol
Exact Mass468.40
IUPAC Name[(Z)-20-[tert-butyl(dimethyl)silyl]oxyicos-8-enyl] acetate
SMILESCC(=O)OCCCCCCC/C=C\CCCCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H56O3Si/c1-27(29)30-25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-31-32(5,6)28(2,3)4/h9,11H,7-8,10,12-26H2,1-6H3/b11-9-
InChIKeyUGFXACVDHFVDMM-LUAWRHEFSA-N
XLogP9.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.84
LogP ≤ 59.37
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(Z)-20-[tert-butyl(dimethyl)silyl]oxyicos-8-enyl] 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 [(Z)-20-[tert-butyl(dimethyl)silyl]oxyicos-8-enyl] acetate?
The IUPAC name of [(Z)-20-[tert-butyl(dimethyl)silyl]oxyicos-8-enyl] acetate (CID 170564308) is [(Z)-20-[tert-butyl(dimethyl)silyl]oxyicos-8-enyl] acetate.
What is the SMILES notation for [(Z)-20-[tert-butyl(dimethyl)silyl]oxyicos-8-enyl] acetate?
The canonical SMILES for [(Z)-20-[tert-butyl(dimethyl)silyl]oxyicos-8-enyl] acetate is CC(=O)OCCCCCCC/C=C\CCCCCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(Z)-20-[tert-butyl(dimethyl)silyl]oxyicos-8-enyl] acetate?
The InChIKey is UGFXACVDHFVDMM-LUAWRHEFSA-N. The full InChI is InChI=1S/C28H56O3Si/c1-27(29)30-25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-31-32(5,6)28(2,3)4/h9,11H,7-8,10,12-26H2,1-6H3/b11-9-.
What are the key properties of [(Z)-20-[tert-butyl(dimethyl)silyl]oxyicos-8-enyl] acetate?
[(Z)-20-[tert-butyl(dimethyl)silyl]oxyicos-8-enyl] acetate has a molecular weight of 468.84 g/mol, XLogP of 9.37, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-20-[tert-butyl(dimethyl)silyl]oxyicos-8-enyl] acetate is sourced from PubChem (CID 170564308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).