3,7-dimethyloctan-3-yloxy-dimethyl-propoxysilane

C15H34O2Si — CID 91739176

IUPAC3,7-dimethyloctan-3-yloxy-dimethyl-propoxysilane
SMILESCCCO[Si](C)(C)OC(C)(CC)CCCC(C)C
InChIInChI=1S/C15H34O2Si/c1-8-13-16-18(6,7)17-15(5,9-2)12-10-11-14(3)4/h14H,8-13H2,1-7H3
InChIKeyWMEYZQIZLGMZSF-UHFFFAOYSA-N
MW274.52 g/mol
LogP5.13
Rot. Bonds10

About 3,7-dimethyloctan-3-yloxy-dimethyl-propoxysilane

3,7-dimethyloctan-3-yloxy-dimethyl-propoxysilane (PubChem CID 91739176) has the molecular formula C15H34O2Si and a molecular weight of 274.52 g/mol. Its IUPAC name is 3,7-dimethyloctan-3-yloxy-dimethyl-propoxysilane.

Molecular Properties

Compound Name3,7-dimethyloctan-3-yloxy-dimethyl-propoxysilane
PubChem CID91739176
Molecular FormulaC15H34O2Si
Molecular Weight274.52 g/mol
Exact Mass274.23
IUPAC Name3,7-dimethyloctan-3-yloxy-dimethyl-propoxysilane
SMILESCCCO[Si](C)(C)OC(C)(CC)CCCC(C)C
InChIInChI=1S/C15H34O2Si/c1-8-13-16-18(6,7)17-15(5,9-2)12-10-11-14(3)4/h14H,8-13H2,1-7H3
InChIKeyWMEYZQIZLGMZSF-UHFFFAOYSA-N
XLogP5.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.52
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Silane, dimethyldi(2-ethylhexyloxy)
CID 85694064
Silane, diethyl(6-ethyloct-3-yloxy)propoxy-
CID 91714695
Silane, diethyl(6-ethyloct-3-yloxy)pentyloxy-
CID 91723826
Silane, dimethyl(dimethyl(2-ethylhexyloxy)silyloxy)propoxy-
CID 91731175
Silane, dimethyl(2-heptyloxy)isohexyloxy-
CID 91733284
Silane, diethylethoxy(2-ethylhexyloxy)-
CID 91736716
Silane, diethyl(2-ethylhexyloxy)propoxy-
CID 91738231
Silane, dimethyl(2-ethylhexyloxy)isobutoxy-
CID 91738234
Silane, dimethyl(2-ethylhexyloxy)pentyloxy-
CID 91739214
Silane, dimethyl(3,7-dimethyloct-3-yloxy)isobutoxy-
CID 91740252
Silane, dimethyl(3,7-dimethyloct-3-yloxy)butoxy-
CID 91740253
Silane, dimethyl(2-ethylhexyloxy)isohexyloxy-
CID 91740258

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyloctan-3-yloxy-dimethyl-propoxysilane?
The IUPAC name of 3,7-dimethyloctan-3-yloxy-dimethyl-propoxysilane (CID 91739176) is 3,7-dimethyloctan-3-yloxy-dimethyl-propoxysilane.
What is the SMILES notation for 3,7-dimethyloctan-3-yloxy-dimethyl-propoxysilane?
The canonical SMILES for 3,7-dimethyloctan-3-yloxy-dimethyl-propoxysilane is CCCO[Si](C)(C)OC(C)(CC)CCCC(C)C.
What is the InChIKey of 3,7-dimethyloctan-3-yloxy-dimethyl-propoxysilane?
The InChIKey is WMEYZQIZLGMZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O2Si/c1-8-13-16-18(6,7)17-15(5,9-2)12-10-11-14(3)4/h14H,8-13H2,1-7H3.
What are the key properties of 3,7-dimethyloctan-3-yloxy-dimethyl-propoxysilane?
3,7-dimethyloctan-3-yloxy-dimethyl-propoxysilane has a molecular weight of 274.52 g/mol, XLogP of 5.13, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyloctan-3-yloxy-dimethyl-propoxysilane is sourced from PubChem (CID 91739176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).