3,7-dimethyloctan-3-yloxy-heptoxy-dimethylsilane

C19H42O2Si — CID 91742249

IUPAC3,7-dimethyloctan-3-yloxy-heptoxy-dimethylsilane
SMILESCCCCCCCO[Si](C)(C)OC(C)(CC)CCCC(C)C
InChIInChI=1S/C19H42O2Si/c1-8-10-11-12-13-17-20-22(6,7)21-19(5,9-2)16-14-15-18(3)4/h18H,8-17H2,1-7H3
InChIKeyYKHPAWXRTVGNGY-UHFFFAOYSA-N
MW330.63 g/mol
LogP6.69
Rot. Bonds14

About 3,7-dimethyloctan-3-yloxy-heptoxy-dimethylsilane

3,7-dimethyloctan-3-yloxy-heptoxy-dimethylsilane (PubChem CID 91742249) has the molecular formula C19H42O2Si and a molecular weight of 330.63 g/mol. Its IUPAC name is 3,7-dimethyloctan-3-yloxy-heptoxy-dimethylsilane.

Molecular Properties

Compound Name3,7-dimethyloctan-3-yloxy-heptoxy-dimethylsilane
PubChem CID91742249
Molecular FormulaC19H42O2Si
Molecular Weight330.63 g/mol
Exact Mass330.30
IUPAC Name3,7-dimethyloctan-3-yloxy-heptoxy-dimethylsilane
SMILESCCCCCCCO[Si](C)(C)OC(C)(CC)CCCC(C)C
InChIInChI=1S/C19H42O2Si/c1-8-10-11-12-13-17-20-22(6,7)21-19(5,9-2)16-14-15-18(3)4/h18H,8-17H2,1-7H3
InChIKeyYKHPAWXRTVGNGY-UHFFFAOYSA-N
XLogP6.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.63
LogP ≤ 56.69
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'}

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Related Compounds

Silane, dimethyldi(2-ethylhexyloxy)
CID 85694064
tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane
CID 11312646
Octa-decyltrimethoxysilane
CID 129773342
(s)-t-Butyl(dimethyl)[(13-methylheptadecyl)oxy]silane
CID 146679947
Diethoxy-[9-(fluoromethyl)heptadecan-9-yloxy]-octylsilane
CID 87900023
Diethoxy-fluoro-(9-methyldocosan-9-yloxy)silane
CID 172682134
Diethoxy-(10-fluorodecyl)-(6-methylpentadecan-2-yloxy)silane
CID 175547717
Diethoxy-ethyl-(1-fluoro-7-methylicosan-7-yl)oxysilane
CID 175556758
Silane, diethylisohexyloxy(2-octyloxy)-
CID 91698413
Silane, diethyl(6-ethyloct-3-yloxy)propoxy-
CID 91714695
Silane, dimethyl(dimethyl(2-ethylbutoxy)silyloxy)dodecyloxy-
CID 91721100
Silane, dimethyl(dimethyl(2-ethylbutoxy)silyloxy)octyloxy-
CID 91721109

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyloctan-3-yloxy-heptoxy-dimethylsilane?
The IUPAC name of 3,7-dimethyloctan-3-yloxy-heptoxy-dimethylsilane (CID 91742249) is 3,7-dimethyloctan-3-yloxy-heptoxy-dimethylsilane.
What is the SMILES notation for 3,7-dimethyloctan-3-yloxy-heptoxy-dimethylsilane?
The canonical SMILES for 3,7-dimethyloctan-3-yloxy-heptoxy-dimethylsilane is CCCCCCCO[Si](C)(C)OC(C)(CC)CCCC(C)C.
What is the InChIKey of 3,7-dimethyloctan-3-yloxy-heptoxy-dimethylsilane?
The InChIKey is YKHPAWXRTVGNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O2Si/c1-8-10-11-12-13-17-20-22(6,7)21-19(5,9-2)16-14-15-18(3)4/h18H,8-17H2,1-7H3.
What are the key properties of 3,7-dimethyloctan-3-yloxy-heptoxy-dimethylsilane?
3,7-dimethyloctan-3-yloxy-heptoxy-dimethylsilane has a molecular weight of 330.63 g/mol, XLogP of 6.69, 14 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-heptoxy-dimethylsilane is sourced from PubChem (CID 91742249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).