[(3Z,7S,8R)-11-(1,3-dioxolan-2-yl)-7-ethenyl-8-methylundeca-1,3-dien-3-yl]oxy-triethylsilane

C23H42O3Si — CID 10992903

IUPAC[(3Z,7S,8R)-11-(1,3-dioxolan-2-yl)-7-ethenyl-8-methylundeca-1,3-dien-3-yl]oxy-triethylsilane
SMILESC=C/C(=C/CC[C@@H](C=C)[C@H](C)CCCC1OCCO1)O[Si](CC)(CC)CC
InChIInChI=1S/C23H42O3Si/c1-7-21(20(6)14-12-17-23-24-18-19-25-23)15-13-16-22(8-2)26-27(9-3,10-4)11-5/h7-8,16,20-21,23H,1-2,9-15,17-19H2,3-6H3/b22-16-/t20-,21-/m1/s1
InChIKeyHOSPCQBZOZVCKD-JLMXGAACSA-N
MW394.67 g/mol
LogP6.84
Rot. Bonds15

About [(3Z,7S,8R)-11-(1,3-dioxolan-2-yl)-7-ethenyl-8-methylundeca-1,3-dien-3-yl]oxy-triethylsilane

[(3Z,7S,8R)-11-(1,3-dioxolan-2-yl)-7-ethenyl-8-methylundeca-1,3-dien-3-yl]oxy-triethylsilane (PubChem CID 10992903) has the molecular formula C23H42O3Si and a molecular weight of 394.67 g/mol. Its IUPAC name is [(3Z,7S,8R)-11-(1,3-dioxolan-2-yl)-7-ethenyl-8-methylundeca-1,3-dien-3-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(3Z,7S,8R)-11-(1,3-dioxolan-2-yl)-7-ethenyl-8-methylundeca-1,3-dien-3-yl]oxy-triethylsilane
PubChem CID10992903
Molecular FormulaC23H42O3Si
Molecular Weight394.67 g/mol
Exact Mass394.29
IUPAC Name[(3Z,7S,8R)-11-(1,3-dioxolan-2-yl)-7-ethenyl-8-methylundeca-1,3-dien-3-yl]oxy-triethylsilane
SMILESC=C/C(=C/CC[C@@H](C=C)[C@H](C)CCCC1OCCO1)O[Si](CC)(CC)CC
InChIInChI=1S/C23H42O3Si/c1-7-21(20(6)14-12-17-23-24-18-19-25-23)15-13-16-22(8-2)26-27(9-3,10-4)11-5/h7-8,16,20-21,23H,1-2,9-15,17-19H2,3-6H3/b22-16-/t20-,21-/m1/s1
InChIKeyHOSPCQBZOZVCKD-JLMXGAACSA-N
XLogP6.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.67
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(3Z,7S,8R)-11-(1,3-dioxolan-2-yl)-7-ethenyl-8-methylundeca-1,3-dien-3-yl]oxy-triethylsilane 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 [(3Z,7S,8R)-11-(1,3-dioxolan-2-yl)-7-ethenyl-8-methylundeca-1,3-dien-3-yl]oxy-triethylsilane?
The IUPAC name of [(3Z,7S,8R)-11-(1,3-dioxolan-2-yl)-7-ethenyl-8-methylundeca-1,3-dien-3-yl]oxy-triethylsilane (CID 10992903) is [(3Z,7S,8R)-11-(1,3-dioxolan-2-yl)-7-ethenyl-8-methylundeca-1,3-dien-3-yl]oxy-triethylsilane.
What is the SMILES notation for [(3Z,7S,8R)-11-(1,3-dioxolan-2-yl)-7-ethenyl-8-methylundeca-1,3-dien-3-yl]oxy-triethylsilane?
The canonical SMILES for [(3Z,7S,8R)-11-(1,3-dioxolan-2-yl)-7-ethenyl-8-methylundeca-1,3-dien-3-yl]oxy-triethylsilane is C=C/C(=C/CC[C@@H](C=C)[C@H](C)CCCC1OCCO1)O[Si](CC)(CC)CC.
What is the InChIKey of [(3Z,7S,8R)-11-(1,3-dioxolan-2-yl)-7-ethenyl-8-methylundeca-1,3-dien-3-yl]oxy-triethylsilane?
The InChIKey is HOSPCQBZOZVCKD-JLMXGAACSA-N. The full InChI is InChI=1S/C23H42O3Si/c1-7-21(20(6)14-12-17-23-24-18-19-25-23)15-13-16-22(8-2)26-27(9-3,10-4)11-5/h7-8,16,20-21,23H,1-2,9-15,17-19H2,3-6H3/b22-16-/t20-,21-/m1/s1.
What are the key properties of [(3Z,7S,8R)-11-(1,3-dioxolan-2-yl)-7-ethenyl-8-methylundeca-1,3-dien-3-yl]oxy-triethylsilane?
[(3Z,7S,8R)-11-(1,3-dioxolan-2-yl)-7-ethenyl-8-methylundeca-1,3-dien-3-yl]oxy-triethylsilane has a molecular weight of 394.67 g/mol, XLogP of 6.84, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,7S,8R)-11-(1,3-dioxolan-2-yl)-7-ethenyl-8-methylundeca-1,3-dien-3-yl]oxy-triethylsilane is sourced from PubChem (CID 10992903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).