decoxy-(3,7-dimethyloctan-3-yloxy)-dimethylsilane

C22H48O2Si — CID 91743740

IUPACdecoxy-(3,7-dimethyloctan-3-yloxy)-dimethylsilane
SMILESCCCCCCCCCCO[Si](C)(C)OC(C)(CC)CCCC(C)C
InChIInChI=1S/C22H48O2Si/c1-8-10-11-12-13-14-15-16-20-23-25(6,7)24-22(5,9-2)19-17-18-21(3)4/h21H,8-20H2,1-7H3
InChIKeyUMCKCBFAGCCZLP-UHFFFAOYSA-N
MW372.71 g/mol
LogP7.86
Rot. Bonds17

About decoxy-(3,7-dimethyloctan-3-yloxy)-dimethylsilane

decoxy-(3,7-dimethyloctan-3-yloxy)-dimethylsilane (PubChem CID 91743740) has the molecular formula C22H48O2Si and a molecular weight of 372.71 g/mol. Its IUPAC name is decoxy-(3,7-dimethyloctan-3-yloxy)-dimethylsilane.

Molecular Properties

Compound Namedecoxy-(3,7-dimethyloctan-3-yloxy)-dimethylsilane
PubChem CID91743740
Molecular FormulaC22H48O2Si
Molecular Weight372.71 g/mol
Exact Mass372.34
IUPAC Namedecoxy-(3,7-dimethyloctan-3-yloxy)-dimethylsilane
SMILESCCCCCCCCCCO[Si](C)(C)OC(C)(CC)CCCC(C)C
InChIInChI=1S/C22H48O2Si/c1-8-10-11-12-13-14-15-16-20-23-25(6,7)24-22(5,9-2)19-17-18-21(3)4/h21H,8-20H2,1-7H3
InChIKeyUMCKCBFAGCCZLP-UHFFFAOYSA-N
XLogP7.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.71
LogP ≤ 57.86
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 decoxy-(3,7-dimethyloctan-3-yloxy)-dimethylsilane?
The IUPAC name of decoxy-(3,7-dimethyloctan-3-yloxy)-dimethylsilane (CID 91743740) is decoxy-(3,7-dimethyloctan-3-yloxy)-dimethylsilane.
What is the SMILES notation for decoxy-(3,7-dimethyloctan-3-yloxy)-dimethylsilane?
The canonical SMILES for decoxy-(3,7-dimethyloctan-3-yloxy)-dimethylsilane is CCCCCCCCCCO[Si](C)(C)OC(C)(CC)CCCC(C)C.
What is the InChIKey of decoxy-(3,7-dimethyloctan-3-yloxy)-dimethylsilane?
The InChIKey is UMCKCBFAGCCZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48O2Si/c1-8-10-11-12-13-14-15-16-20-23-25(6,7)24-22(5,9-2)19-17-18-21(3)4/h21H,8-20H2,1-7H3.
What are the key properties of decoxy-(3,7-dimethyloctan-3-yloxy)-dimethylsilane?
decoxy-(3,7-dimethyloctan-3-yloxy)-dimethylsilane has a molecular weight of 372.71 g/mol, XLogP of 7.86, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decoxy-(3,7-dimethyloctan-3-yloxy)-dimethylsilane is sourced from PubChem (CID 91743740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).