[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-nonoxysilane

C21H42O2Si — CID 91710972

IUPAC[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-nonoxysilane
SMILESCCCCCCCCCO[Si](C)(C)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C21H42O2Si/c1-7-8-9-10-11-12-13-18-22-24(5,6)23-19-17-21(4)16-14-15-20(2)3/h15,17H,7-14,16,18-19H2,1-6H3/b21-17+
InChIKeyVNTGJFDVQHEZHD-HEHNFIMWSA-N
MW354.65 g/mol
LogP7.16
Rot. Bonds15

About [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-nonoxysilane

[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-nonoxysilane (PubChem CID 91710972) has the molecular formula C21H42O2Si and a molecular weight of 354.65 g/mol. Its IUPAC name is [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-nonoxysilane.

Molecular Properties

Compound Name[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-nonoxysilane
PubChem CID91710972
Molecular FormulaC21H42O2Si
Molecular Weight354.65 g/mol
Exact Mass354.30
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-nonoxysilane
SMILESCCCCCCCCCO[Si](C)(C)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C21H42O2Si/c1-7-8-9-10-11-12-13-18-22-24(5,6)23-19-17-21(4)16-14-15-20(2)3/h15,17H,7-14,16,18-19H2,1-6H3/b21-17+
InChIKeyVNTGJFDVQHEZHD-HEHNFIMWSA-N
XLogP7.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.65
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

Octadec-9Z-enol trimethylsilyl ether
CID 5366884
Silane, dimethyldi(trans-3,7-dimethyl-2,6-octadien-1-yloxy)-
CID 19045075
Trimethyl(9-octadecenyloxy)-silane
CID 554435
Linoleyl alcohol tms ether
CID 15635192
cis-9-octadecenol, tBDMS
CID 6430273
Silane, dimethyl(dec-4-enyloxy)heptyloxy-
CID 91694498
Silane, dimethyl(dec-4-enyloxy)decyloxy-
CID 91694499
Silane, dimethyl(dec-4-enyloxy)octyloxy-
CID 91694589
Silane, dimethyl(dec-4-enyloxy)nonyloxy-
CID 91694590
Silane, dimethyl(dec-4-enyloxy)undecyloxy-
CID 91694591
(9E,12Z)-Tetradeca-9,12-dien-1-ol trimethylsilyl ether
CID 91697185
bis([(2Z)-3,7-Dimethylocta-2,6-dien-1-yl]oxy)(dimethyl)silane
CID 91697237

Frequently Asked Questions

What is the IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-nonoxysilane?
The IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-nonoxysilane (CID 91710972) is [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-nonoxysilane.
What is the SMILES notation for [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-nonoxysilane?
The canonical SMILES for [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-nonoxysilane is CCCCCCCCCO[Si](C)(C)OC/C=C(\C)CCC=C(C)C.
What is the InChIKey of [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-nonoxysilane?
The InChIKey is VNTGJFDVQHEZHD-HEHNFIMWSA-N. The full InChI is InChI=1S/C21H42O2Si/c1-7-8-9-10-11-12-13-18-22-24(5,6)23-19-17-21(4)16-14-15-20(2)3/h15,17H,7-14,16,18-19H2,1-6H3/b21-17+.
What are the key properties of [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-nonoxysilane?
[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-nonoxysilane has a molecular weight of 354.65 g/mol, XLogP of 7.16, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-nonoxysilane is sourced from PubChem (CID 91710972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).