dimethyl-(4-methylpentoxy)-[(E)-non-3-enoxy]silane

C17H36O2Si — CID 91698241

IUPACdimethyl-(4-methylpentoxy)-[(E)-non-3-enoxy]silane
SMILESCCCCC/C=C/CCO[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C17H36O2Si/c1-6-7-8-9-10-11-12-15-18-20(4,5)19-16-13-14-17(2)3/h10-11,17H,6-9,12-16H2,1-5H3/b11-10+
InChIKeyWRZNNKOCFYEDJI-ZHACJKMWSA-N
MW300.56 g/mol
LogP5.68
Rot. Bonds13

About dimethyl-(4-methylpentoxy)-[(E)-non-3-enoxy]silane

dimethyl-(4-methylpentoxy)-[(E)-non-3-enoxy]silane (PubChem CID 91698241) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is dimethyl-(4-methylpentoxy)-[(E)-non-3-enoxy]silane.

Molecular Properties

Compound Namedimethyl-(4-methylpentoxy)-[(E)-non-3-enoxy]silane
PubChem CID91698241
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Namedimethyl-(4-methylpentoxy)-[(E)-non-3-enoxy]silane
SMILESCCCCC/C=C/CCO[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C17H36O2Si/c1-6-7-8-9-10-11-12-15-18-20(4,5)19-16-13-14-17(2)3/h10-11,17H,6-9,12-16H2,1-5H3/b11-10+
InChIKeyWRZNNKOCFYEDJI-ZHACJKMWSA-N
XLogP5.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.68
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

(S)-tert-butyl((3,7-dimethyloct-6-en-1-yl)oxy)dimethylsilane
CID 22882877
beta-Citronellol, TBDMS derivative
CID 11043851
Silane, dimethyl(dec-4-enyloxy)pentyloxy-
CID 91694497
Silane, dimethyl(dec-4-enyloxy)hexyloxy-
CID 91694588
bis[(4Z)-Dec-4-en-1-yloxy](dimethyl)silane
CID 91694592
Silane, dimethyldi(dec-4-enyloxy)-
CID 91694593
Dimethyl(bis[(3Z)-non-3-en-1-yloxy])silane
CID 91697330
bis[(3,7-Dimethyloct-6-en-1-yl)oxy](dimethyl)silane
CID 91697684
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)isohexyloxy-
CID 91698238
Silane, dimethyl(undec-2-enyloxy)isohexyloxy-
CID 91698243
Silane, dimethyl(dodec-2-enyloxy)isohexyloxy-
CID 91698244
Dimethyl(bis([5-methyl-2-(1-methylethenyl)hex-4-en-1-yl]oxy))silane
CID 91700330

Frequently Asked Questions

What is the IUPAC name of dimethyl-(4-methylpentoxy)-[(E)-non-3-enoxy]silane?
The IUPAC name of dimethyl-(4-methylpentoxy)-[(E)-non-3-enoxy]silane (CID 91698241) is dimethyl-(4-methylpentoxy)-[(E)-non-3-enoxy]silane.
What is the SMILES notation for dimethyl-(4-methylpentoxy)-[(E)-non-3-enoxy]silane?
The canonical SMILES for dimethyl-(4-methylpentoxy)-[(E)-non-3-enoxy]silane is CCCCC/C=C/CCO[Si](C)(C)OCCCC(C)C.
What is the InChIKey of dimethyl-(4-methylpentoxy)-[(E)-non-3-enoxy]silane?
The InChIKey is WRZNNKOCFYEDJI-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-6-7-8-9-10-11-12-15-18-20(4,5)19-16-13-14-17(2)3/h10-11,17H,6-9,12-16H2,1-5H3/b11-10+.
What are the key properties of dimethyl-(4-methylpentoxy)-[(E)-non-3-enoxy]silane?
dimethyl-(4-methylpentoxy)-[(E)-non-3-enoxy]silane has a molecular weight of 300.56 g/mol, XLogP of 5.68, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(4-methylpentoxy)-[(E)-non-3-enoxy]silane is sourced from PubChem (CID 91698241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).