3,7-dimethyloctan-3-yloxy-dimethyl-octoxysilane

C20H44O2Si — CID 91742773

IUPAC3,7-dimethyloctan-3-yloxy-dimethyl-octoxysilane
SMILESCCCCCCCCO[Si](C)(C)OC(C)(CC)CCCC(C)C
InChIInChI=1S/C20H44O2Si/c1-8-10-11-12-13-14-18-21-23(6,7)22-20(5,9-2)17-15-16-19(3)4/h19H,8-18H2,1-7H3
InChIKeyUFPWANILGOQYJS-UHFFFAOYSA-N
MW344.66 g/mol
LogP7.08
Rot. Bonds15

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

3,7-dimethyloctan-3-yloxy-dimethyl-octoxysilane (PubChem CID 91742773) has the molecular formula C20H44O2Si and a molecular weight of 344.66 g/mol. Its IUPAC name is 3,7-dimethyloctan-3-yloxy-dimethyl-octoxysilane.

Molecular Properties

Compound Name3,7-dimethyloctan-3-yloxy-dimethyl-octoxysilane
PubChem CID91742773
Molecular FormulaC20H44O2Si
Molecular Weight344.66 g/mol
Exact Mass344.31
IUPAC Name3,7-dimethyloctan-3-yloxy-dimethyl-octoxysilane
SMILESCCCCCCCCO[Si](C)(C)OC(C)(CC)CCCC(C)C
InChIInChI=1S/C20H44O2Si/c1-8-10-11-12-13-14-18-21-23(6,7)22-20(5,9-2)17-15-16-19(3)4/h19H,8-18H2,1-7H3
InChIKeyUFPWANILGOQYJS-UHFFFAOYSA-N
XLogP7.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.66
LogP ≤ 57.08
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-dimethyl-octoxysilane?
The IUPAC name of 3,7-dimethyloctan-3-yloxy-dimethyl-octoxysilane (CID 91742773) is 3,7-dimethyloctan-3-yloxy-dimethyl-octoxysilane.
What is the SMILES notation for 3,7-dimethyloctan-3-yloxy-dimethyl-octoxysilane?
The canonical SMILES for 3,7-dimethyloctan-3-yloxy-dimethyl-octoxysilane is CCCCCCCCO[Si](C)(C)OC(C)(CC)CCCC(C)C.
What is the InChIKey of 3,7-dimethyloctan-3-yloxy-dimethyl-octoxysilane?
The InChIKey is UFPWANILGOQYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44O2Si/c1-8-10-11-12-13-14-18-21-23(6,7)22-20(5,9-2)17-15-16-19(3)4/h19H,8-18H2,1-7H3.
What are the key properties of 3,7-dimethyloctan-3-yloxy-dimethyl-octoxysilane?
3,7-dimethyloctan-3-yloxy-dimethyl-octoxysilane has a molecular weight of 344.66 g/mol, XLogP of 7.08, 15 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-octoxysilane is sourced from PubChem (CID 91742773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).