diethyl-(6-ethyloctan-3-yloxy)-heptadecoxysilane

C31H66O2Si — CID 91745649

IUPACdiethyl-(6-ethyloctan-3-yloxy)-heptadecoxysilane
SMILESCCCCCCCCCCCCCCCCCO[Si](CC)(CC)OC(CC)CCC(CC)CC
InChIInChI=1S/C31H66O2Si/c1-7-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-32-34(11-5,12-6)33-31(10-4)28-27-30(8-2)9-3/h30-31H,7-29H2,1-6H3
InChIKeyJQJFPTPVJGTICI-UHFFFAOYSA-N
MW498.95 g/mol
LogP11.37
Rot. Bonds27

About diethyl-(6-ethyloctan-3-yloxy)-heptadecoxysilane

diethyl-(6-ethyloctan-3-yloxy)-heptadecoxysilane (PubChem CID 91745649) has the molecular formula C31H66O2Si and a molecular weight of 498.95 g/mol. Its IUPAC name is diethyl-(6-ethyloctan-3-yloxy)-heptadecoxysilane.

Molecular Properties

Compound Namediethyl-(6-ethyloctan-3-yloxy)-heptadecoxysilane
PubChem CID91745649
Molecular FormulaC31H66O2Si
Molecular Weight498.95 g/mol
Exact Mass498.48
IUPAC Namediethyl-(6-ethyloctan-3-yloxy)-heptadecoxysilane
SMILESCCCCCCCCCCCCCCCCCO[Si](CC)(CC)OC(CC)CCC(CC)CC
InChIInChI=1S/C31H66O2Si/c1-7-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-32-34(11-5,12-6)33-31(10-4)28-27-30(8-2)9-3/h30-31H,7-29H2,1-6H3
InChIKeyJQJFPTPVJGTICI-UHFFFAOYSA-N
XLogP11.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.95
LogP ≤ 511.37
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
Tert-butyl-(cyclooctylmethoxy)-dimethylsilane
CID 70178639
Octa-decyltrimethoxysilane
CID 129773342
(s)-t-Butyl(dimethyl)[(13-methylheptadecyl)oxy]silane
CID 146679947
Diethoxy-[9-(fluoromethyl)heptadecan-9-yloxy]-octylsilane
CID 87900023
Ethyl-(3-fluoro-2-methyldecan-2-yl)oxy-di(propan-2-yloxy)silane
CID 140230149
8-Fluorooctyl-(2-methylpentadecan-2-yloxy)-di(propan-2-yloxy)silane
CID 153946783
Diethoxy-(10-fluorodecyl)-(6-methylpentadecan-2-yloxy)silane
CID 175547717
Diethoxy-ethyl-(1-fluoro-7-methylicosan-7-yl)oxysilane
CID 175556758
2-decanol, tBDMS
CID 6430226
Silane, methylvinyldi(3,7-dimethyloctyloxy)-
CID 91698190

Frequently Asked Questions

What is the IUPAC name of diethyl-(6-ethyloctan-3-yloxy)-heptadecoxysilane?
The IUPAC name of diethyl-(6-ethyloctan-3-yloxy)-heptadecoxysilane (CID 91745649) is diethyl-(6-ethyloctan-3-yloxy)-heptadecoxysilane.
What is the SMILES notation for diethyl-(6-ethyloctan-3-yloxy)-heptadecoxysilane?
The canonical SMILES for diethyl-(6-ethyloctan-3-yloxy)-heptadecoxysilane is CCCCCCCCCCCCCCCCCO[Si](CC)(CC)OC(CC)CCC(CC)CC.
What is the InChIKey of diethyl-(6-ethyloctan-3-yloxy)-heptadecoxysilane?
The InChIKey is JQJFPTPVJGTICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H66O2Si/c1-7-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-32-34(11-5,12-6)33-31(10-4)28-27-30(8-2)9-3/h30-31H,7-29H2,1-6H3.
What are the key properties of diethyl-(6-ethyloctan-3-yloxy)-heptadecoxysilane?
diethyl-(6-ethyloctan-3-yloxy)-heptadecoxysilane has a molecular weight of 498.95 g/mol, XLogP of 11.37, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(6-ethyloctan-3-yloxy)-heptadecoxysilane is sourced from PubChem (CID 91745649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).