[(5E)-6,10-dimethylundeca-5,9-dienoxy]-tri(propan-2-yl)silane

C22H44OSi — CID 89418003

IUPAC[(5E)-6,10-dimethylundeca-5,9-dienoxy]-tri(propan-2-yl)silane
SMILESCC(C)=CCC/C(C)=C/CCCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H44OSi/c1-18(2)14-13-16-22(9)15-11-10-12-17-23-24(19(3)4,20(5)6)21(7)8/h14-15,19-21H,10-13,16-17H2,1-9H3/b22-15+
InChIKeyYIPHCTXUMLQTPE-PXLXIMEGSA-N
MW352.68 g/mol
LogP8.04
Rot. Bonds12

About [(5E)-6,10-dimethylundeca-5,9-dienoxy]-tri(propan-2-yl)silane

[(5E)-6,10-dimethylundeca-5,9-dienoxy]-tri(propan-2-yl)silane (PubChem CID 89418003) has the molecular formula C22H44OSi and a molecular weight of 352.68 g/mol. Its IUPAC name is [(5E)-6,10-dimethylundeca-5,9-dienoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(5E)-6,10-dimethylundeca-5,9-dienoxy]-tri(propan-2-yl)silane
PubChem CID89418003
Molecular FormulaC22H44OSi
Molecular Weight352.68 g/mol
Exact Mass352.32
IUPAC Name[(5E)-6,10-dimethylundeca-5,9-dienoxy]-tri(propan-2-yl)silane
SMILESCC(C)=CCC/C(C)=C/CCCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H44OSi/c1-18(2)14-13-16-22(9)15-11-10-12-17-23-24(19(3)4,20(5)6)21(7)8/h14-15,19-21H,10-13,16-17H2,1-9H3/b22-15+
InChIKeyYIPHCTXUMLQTPE-PXLXIMEGSA-N
XLogP8.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.68
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Frequently Asked Questions

What is the IUPAC name of [(5E)-6,10-dimethylundeca-5,9-dienoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(5E)-6,10-dimethylundeca-5,9-dienoxy]-tri(propan-2-yl)silane (CID 89418003) is [(5E)-6,10-dimethylundeca-5,9-dienoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(5E)-6,10-dimethylundeca-5,9-dienoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(5E)-6,10-dimethylundeca-5,9-dienoxy]-tri(propan-2-yl)silane is CC(C)=CCC/C(C)=C/CCCCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(5E)-6,10-dimethylundeca-5,9-dienoxy]-tri(propan-2-yl)silane?
The InChIKey is YIPHCTXUMLQTPE-PXLXIMEGSA-N. The full InChI is InChI=1S/C22H44OSi/c1-18(2)14-13-16-22(9)15-11-10-12-17-23-24(19(3)4,20(5)6)21(7)8/h14-15,19-21H,10-13,16-17H2,1-9H3/b22-15+.
What are the key properties of [(5E)-6,10-dimethylundeca-5,9-dienoxy]-tri(propan-2-yl)silane?
[(5E)-6,10-dimethylundeca-5,9-dienoxy]-tri(propan-2-yl)silane has a molecular weight of 352.68 g/mol, XLogP of 8.04, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E)-6,10-dimethylundeca-5,9-dienoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 89418003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).