methyl 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoate

C21H38O4Si — CID 54555482

IUPACmethyl 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoate
SMILESCOC(=O)C(CC=C(C)CCC=C(C)CO[Si](C)(C)C(C)(C)C)C(C)=O
InChIInChI=1S/C21H38O4Si/c1-16(13-14-19(18(3)22)20(23)24-7)11-10-12-17(2)15-25-26(8,9)21(4,5)6/h12-13,19H,10-11,14-15H2,1-9H3
InChIKeyZMWLACBWRYZWSU-UHFFFAOYSA-N
MW382.62 g/mol
LogP5.45
Rot. Bonds10

About methyl 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoate

methyl 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoate (PubChem CID 54555482) has the molecular formula C21H38O4Si and a molecular weight of 382.62 g/mol. Its IUPAC name is methyl 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoate.

Molecular Properties

Compound Namemethyl 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoate
PubChem CID54555482
Molecular FormulaC21H38O4Si
Molecular Weight382.62 g/mol
Exact Mass382.25
IUPAC Namemethyl 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoate
SMILESCOC(=O)C(CC=C(C)CCC=C(C)CO[Si](C)(C)C(C)(C)C)C(C)=O
InChIInChI=1S/C21H38O4Si/c1-16(13-14-19(18(3)22)20(23)24-7)11-10-12-17(2)15-25-26(8,9)21(4,5)6/h12-13,19H,10-11,14-15H2,1-9H3
InChIKeyZMWLACBWRYZWSU-UHFFFAOYSA-N
XLogP5.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.62
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoate 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 methyl 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoate?
The IUPAC name of methyl 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoate (CID 54555482) is methyl 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoate.
What is the SMILES notation for methyl 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoate?
The canonical SMILES for methyl 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoate is COC(=O)C(CC=C(C)CCC=C(C)CO[Si](C)(C)C(C)(C)C)C(C)=O.
What is the InChIKey of methyl 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoate?
The InChIKey is ZMWLACBWRYZWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O4Si/c1-16(13-14-19(18(3)22)20(23)24-7)11-10-12-17(2)15-25-26(8,9)21(4,5)6/h12-13,19H,10-11,14-15H2,1-9H3.
What are the key properties of methyl 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoate?
methyl 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoate has a molecular weight of 382.62 g/mol, XLogP of 5.45, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoate is sourced from PubChem (CID 54555482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).