bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane

C22H40O2Si — CID 19045075

IUPACbis[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane
SMILESCC(C)=CCC/C(C)=C/CO[Si](C)(C)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C22H40O2Si/c1-19(2)11-9-13-21(5)15-17-23-25(7,8)24-18-16-22(6)14-10-12-20(3)4/h11-12,15-16H,9-10,13-14,17-18H2,1-8H3/b21-15+,22-16+
InChIKeyHDGRRBNGEXHOLS-YHARCJFQSA-N
MW364.65 g/mol
LogP7.11
Rot. Bonds12

About bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane

bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane (PubChem CID 19045075) has the molecular formula C22H40O2Si and a molecular weight of 364.65 g/mol. Its IUPAC name is bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane.

Molecular Properties

Compound Namebis[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane
PubChem CID19045075
Molecular FormulaC22H40O2Si
Molecular Weight364.65 g/mol
Exact Mass364.28
IUPAC Namebis[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane
SMILESCC(C)=CCC/C(C)=C/CO[Si](C)(C)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C22H40O2Si/c1-19(2)11-9-13-21(5)15-17-23-25(7,8)24-18-16-22(6)14-10-12-20(3)4/h11-12,15-16H,9-10,13-14,17-18H2,1-8H3/b21-15+,22-16+
InChIKeyHDGRRBNGEXHOLS-YHARCJFQSA-N
XLogP7.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.65
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane?
The IUPAC name of bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane (CID 19045075) is bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane.
What is the SMILES notation for bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane?
The canonical SMILES for bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane is CC(C)=CCC/C(C)=C/CO[Si](C)(C)OC/C=C(\C)CCC=C(C)C.
What is the InChIKey of bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane?
The InChIKey is HDGRRBNGEXHOLS-YHARCJFQSA-N. The full InChI is InChI=1S/C22H40O2Si/c1-19(2)11-9-13-21(5)15-17-23-25(7,8)24-18-16-22(6)14-10-12-20(3)4/h11-12,15-16H,9-10,13-14,17-18H2,1-8H3/b21-15+,22-16+.
What are the key properties of bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane?
bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane has a molecular weight of 364.65 g/mol, XLogP of 7.11, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane is sourced from PubChem (CID 19045075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).