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

C23H46O2Si — CID 91710973

IUPAC[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-undecoxysilane
SMILESCCCCCCCCCCCO[Si](C)(C)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C23H46O2Si/c1-7-8-9-10-11-12-13-14-15-20-24-26(5,6)25-21-19-23(4)18-16-17-22(2)3/h17,19H,7-16,18,20-21H2,1-6H3/b23-19+
InChIKeyBFWXVWKFAYGLNL-FCDQGJHFSA-N
MW382.71 g/mol
LogP7.94
Rot. Bonds17

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

[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-undecoxysilane (PubChem CID 91710973) has the molecular formula C23H46O2Si and a molecular weight of 382.71 g/mol. Its IUPAC name is [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-undecoxysilane.

Molecular Properties

Compound Name[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-undecoxysilane
PubChem CID91710973
Molecular FormulaC23H46O2Si
Molecular Weight382.71 g/mol
Exact Mass382.33
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-undecoxysilane
SMILESCCCCCCCCCCCO[Si](C)(C)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C23H46O2Si/c1-7-8-9-10-11-12-13-14-15-20-24-26(5,6)25-21-19-23(4)18-16-17-22(2)3/h17,19H,7-16,18,20-21H2,1-6H3/b23-19+
InChIKeyBFWXVWKFAYGLNL-FCDQGJHFSA-N
XLogP7.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.71
LogP ≤ 57.94
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-undecoxysilane?
The IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-undecoxysilane (CID 91710973) is [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-undecoxysilane.
What is the SMILES notation for [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-undecoxysilane?
The canonical SMILES for [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-undecoxysilane is CCCCCCCCCCCO[Si](C)(C)OC/C=C(\C)CCC=C(C)C.
What is the InChIKey of [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-undecoxysilane?
The InChIKey is BFWXVWKFAYGLNL-FCDQGJHFSA-N. The full InChI is InChI=1S/C23H46O2Si/c1-7-8-9-10-11-12-13-14-15-20-24-26(5,6)25-21-19-23(4)18-16-17-22(2)3/h17,19H,7-16,18,20-21H2,1-6H3/b23-19+.
What are the key properties of [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-undecoxysilane?
[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-undecoxysilane has a molecular weight of 382.71 g/mol, XLogP of 7.94, 17 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-undecoxysilane is sourced from PubChem (CID 91710973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).