3,7-dimethyloct-6-enyl 11-[dimethyl(trimethylsilyloxy)silyl]undecanoate

C26H54O3Si2 — CID 54318200

IUPAC3,7-dimethyloct-6-enyl 11-[dimethyl(trimethylsilyloxy)silyl]undecanoate
SMILESCC(C)=CCCC(C)CCOC(=O)CCCCCCCCCC[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C26H54O3Si2/c1-24(2)18-17-19-25(3)21-22-28-26(27)20-15-13-11-9-10-12-14-16-23-31(7,8)29-30(4,5)6/h18,25H,9-17,19-23H2,1-8H3
InChIKeySPSWGGNUCZTBNZ-UHFFFAOYSA-N
MW470.89 g/mol
LogP8.87
Rot. Bonds19

About 3,7-dimethyloct-6-enyl 11-[dimethyl(trimethylsilyloxy)silyl]undecanoate

3,7-dimethyloct-6-enyl 11-[dimethyl(trimethylsilyloxy)silyl]undecanoate (PubChem CID 54318200) has the molecular formula C26H54O3Si2 and a molecular weight of 470.89 g/mol. Its IUPAC name is 3,7-dimethyloct-6-enyl 11-[dimethyl(trimethylsilyloxy)silyl]undecanoate.

Molecular Properties

Compound Name3,7-dimethyloct-6-enyl 11-[dimethyl(trimethylsilyloxy)silyl]undecanoate
PubChem CID54318200
Molecular FormulaC26H54O3Si2
Molecular Weight470.89 g/mol
Exact Mass470.36
IUPAC Name3,7-dimethyloct-6-enyl 11-[dimethyl(trimethylsilyloxy)silyl]undecanoate
SMILESCC(C)=CCCC(C)CCOC(=O)CCCCCCCCCC[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C26H54O3Si2/c1-24(2)18-17-19-25(3)21-22-28-26(27)20-15-13-11-9-10-12-14-16-23-31(7,8)29-30(4,5)6/h18,25H,9-17,19-23H2,1-8H3
InChIKeySPSWGGNUCZTBNZ-UHFFFAOYSA-N
XLogP8.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.89
LogP ≤ 58.87
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 3,7-dimethyloct-6-enyl 11-[dimethyl(trimethylsilyloxy)silyl]undecanoate 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 3,7-dimethyloct-6-enyl 11-[dimethyl(trimethylsilyloxy)silyl]undecanoate?
The IUPAC name of 3,7-dimethyloct-6-enyl 11-[dimethyl(trimethylsilyloxy)silyl]undecanoate (CID 54318200) is 3,7-dimethyloct-6-enyl 11-[dimethyl(trimethylsilyloxy)silyl]undecanoate.
What is the SMILES notation for 3,7-dimethyloct-6-enyl 11-[dimethyl(trimethylsilyloxy)silyl]undecanoate?
The canonical SMILES for 3,7-dimethyloct-6-enyl 11-[dimethyl(trimethylsilyloxy)silyl]undecanoate is CC(C)=CCCC(C)CCOC(=O)CCCCCCCCCC[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of 3,7-dimethyloct-6-enyl 11-[dimethyl(trimethylsilyloxy)silyl]undecanoate?
The InChIKey is SPSWGGNUCZTBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O3Si2/c1-24(2)18-17-19-25(3)21-22-28-26(27)20-15-13-11-9-10-12-14-16-23-31(7,8)29-30(4,5)6/h18,25H,9-17,19-23H2,1-8H3.
What are the key properties of 3,7-dimethyloct-6-enyl 11-[dimethyl(trimethylsilyloxy)silyl]undecanoate?
3,7-dimethyloct-6-enyl 11-[dimethyl(trimethylsilyloxy)silyl]undecanoate has a molecular weight of 470.89 g/mol, XLogP of 8.87, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyloct-6-enyl 11-[dimethyl(trimethylsilyloxy)silyl]undecanoate is sourced from PubChem (CID 54318200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).