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

C17H34O2Si — CID 91718981

IUPAC[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-pentoxysilane
SMILESCCCCCO[Si](C)(C)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C17H34O2Si/c1-7-8-9-14-18-20(5,6)19-15-13-17(4)12-10-11-16(2)3/h11,13H,7-10,12,14-15H2,1-6H3/b17-13+
InChIKeyOAUIFNMWSPBNHK-GHRIWEEISA-N
MW298.54 g/mol
LogP5.60
Rot. Bonds11

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

[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-pentoxysilane (PubChem CID 91718981) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-pentoxysilane.

Molecular Properties

Compound Name[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-pentoxysilane
PubChem CID91718981
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-pentoxysilane
SMILESCCCCCO[Si](C)(C)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C17H34O2Si/c1-7-8-9-14-18-20(5,6)19-15-13-17(4)12-10-11-16(2)3/h11,13H,7-10,12,14-15H2,1-6H3/b17-13+
InChIKeyOAUIFNMWSPBNHK-GHRIWEEISA-N
XLogP5.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.60
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

Geraniol, tert-butyldimethylsilyl ether
CID 6536899
Geraniol, TMS derivative
CID 10998725
Nerol, trimethylsilyl ether
CID 11817006
Farnesol, tert-butyldimethylsilyl ether
CID 10337114
Silane, dimethyldi(trans-3,7-dimethyl-2,6-octadien-1-yloxy)-
CID 19045075
(E)-3-methyl-6-triethylsilyloxyhex-2-en-1-ol
CID 101521913
[(2E)-3,7-dimethylocta-2,6-dienyl]-triethoxysilane
CID 88814215
trans, trans-Farnesol, trimethylsilyl ether
CID 5365996
Nerol, tert-butyldimethylsilyl ether
CID 5366885
Geranylgeraniol, TBDMS derivative
CID 11112251
Silane, dimethyl(dec-4-enyloxy)pentyloxy-
CID 91694497
Dimethyl(bis([(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy))silane
CID 91694866

Frequently Asked Questions

What is the IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-pentoxysilane?
The IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-pentoxysilane (CID 91718981) is [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-pentoxysilane.
What is the SMILES notation for [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-pentoxysilane?
The canonical SMILES for [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-pentoxysilane is CCCCCO[Si](C)(C)OC/C=C(\C)CCC=C(C)C.
What is the InChIKey of [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-pentoxysilane?
The InChIKey is OAUIFNMWSPBNHK-GHRIWEEISA-N. The full InChI is InChI=1S/C17H34O2Si/c1-7-8-9-14-18-20(5,6)19-15-13-17(4)12-10-11-16(2)3/h11,13H,7-10,12,14-15H2,1-6H3/b17-13+.
What are the key properties of [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-pentoxysilane?
[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-pentoxysilane has a molecular weight of 298.54 g/mol, XLogP of 5.60, 11 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-pentoxysilane is sourced from PubChem (CID 91718981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).