[(2E)-3,7-dimethylocta-2,6-dienoxy]-ethoxy-oxosilane

C12H22O3Si — CID 138395831

IUPAC[(2E)-3,7-dimethylocta-2,6-dienoxy]-ethoxy-oxosilane
SMILESCCO[Si](=O)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C12H22O3Si/c1-5-14-16(13)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9+
InChIKeyDSCOOPGRYUTMNT-FMIVXFBMSA-N
MW242.39 g/mol
LogP3.15
Rot. Bonds8

About [(2E)-3,7-dimethylocta-2,6-dienoxy]-ethoxy-oxosilane

[(2E)-3,7-dimethylocta-2,6-dienoxy]-ethoxy-oxosilane (PubChem CID 138395831) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is [(2E)-3,7-dimethylocta-2,6-dienoxy]-ethoxy-oxosilane.

Molecular Properties

Compound Name[(2E)-3,7-dimethylocta-2,6-dienoxy]-ethoxy-oxosilane
PubChem CID138395831
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienoxy]-ethoxy-oxosilane
SMILESCCO[Si](=O)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C12H22O3Si/c1-5-14-16(13)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9+
InChIKeyDSCOOPGRYUTMNT-FMIVXFBMSA-N
XLogP3.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(2E)-3,7-dimethylocta-2,6-dienoxy]-ethoxy-oxosilane?
The IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienoxy]-ethoxy-oxosilane (CID 138395831) is [(2E)-3,7-dimethylocta-2,6-dienoxy]-ethoxy-oxosilane.
What is the SMILES notation for [(2E)-3,7-dimethylocta-2,6-dienoxy]-ethoxy-oxosilane?
The canonical SMILES for [(2E)-3,7-dimethylocta-2,6-dienoxy]-ethoxy-oxosilane is CCO[Si](=O)OC/C=C(\C)CCC=C(C)C.
What is the InChIKey of [(2E)-3,7-dimethylocta-2,6-dienoxy]-ethoxy-oxosilane?
The InChIKey is DSCOOPGRYUTMNT-FMIVXFBMSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-5-14-16(13)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9+.
What are the key properties of [(2E)-3,7-dimethylocta-2,6-dienoxy]-ethoxy-oxosilane?
[(2E)-3,7-dimethylocta-2,6-dienoxy]-ethoxy-oxosilane has a molecular weight of 242.39 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-3,7-dimethylocta-2,6-dienoxy]-ethoxy-oxosilane is sourced from PubChem (CID 138395831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).