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

C32H68O2Si — CID 91745753

IUPACdiethyl-(6-ethyloctan-3-yloxy)-octadecoxysilane
SMILESCCCCCCCCCCCCCCCCCCO[Si](CC)(CC)OC(CC)CCC(CC)CC
InChIInChI=1S/C32H68O2Si/c1-7-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30-33-35(11-5,12-6)34-32(10-4)29-28-31(8-2)9-3/h31-32H,7-30H2,1-6H3
InChIKeyAHHNZHQYUHYAIW-UHFFFAOYSA-N
MW512.98 g/mol
LogP11.76
Rot. Bonds28

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

diethyl-(6-ethyloctan-3-yloxy)-octadecoxysilane (PubChem CID 91745753) has the molecular formula C32H68O2Si and a molecular weight of 512.98 g/mol. Its IUPAC name is diethyl-(6-ethyloctan-3-yloxy)-octadecoxysilane.

Molecular Properties

Compound Namediethyl-(6-ethyloctan-3-yloxy)-octadecoxysilane
PubChem CID91745753
Molecular FormulaC32H68O2Si
Molecular Weight512.98 g/mol
Exact Mass512.50
IUPAC Namediethyl-(6-ethyloctan-3-yloxy)-octadecoxysilane
SMILESCCCCCCCCCCCCCCCCCCO[Si](CC)(CC)OC(CC)CCC(CC)CC
InChIInChI=1S/C32H68O2Si/c1-7-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30-33-35(11-5,12-6)34-32(10-4)29-28-31(8-2)9-3/h31-32H,7-30H2,1-6H3
InChIKeyAHHNZHQYUHYAIW-UHFFFAOYSA-N
XLogP11.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.98
LogP ≤ 511.76
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

tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane
CID 11312646
Octa-decyltrimethoxysilane
CID 129773342
(s)-t-Butyl(dimethyl)[(13-methylheptadecyl)oxy]silane
CID 146679947
Diethoxy-(3-fluorotridecyl)-(9-octyloctadecan-9-yloxy)silane
CID 175454196
Diethoxy-(10-fluorodecyl)-(6-methylpentadecan-2-yloxy)silane
CID 175547717
Silane, methylvinyldi(3,7-dimethyloctyloxy)-
CID 91698190
Silane, methylvinyl(3,7-dimethyloctyloxy)isobutoxy-
CID 91698410
Silane, methylvinyl(3,7-dimethyloctyloxy)butoxy-
CID 91698411
Silane, diethylisohexyloxy(2-octyloxy)-
CID 91698413
Silane, diethylisohexyloxy(4-octyloxy)-
CID 91698414
Silane, diethyl(6-ethyloct-3-yloxy)propoxy-
CID 91714695
Silane, dimethyl(dimethyl(2-ethylhexyloxy)silyloxy)decyloxy-
CID 91721175

Frequently Asked Questions

What is the IUPAC name of diethyl-(6-ethyloctan-3-yloxy)-octadecoxysilane?
The IUPAC name of diethyl-(6-ethyloctan-3-yloxy)-octadecoxysilane (CID 91745753) is diethyl-(6-ethyloctan-3-yloxy)-octadecoxysilane.
What is the SMILES notation for diethyl-(6-ethyloctan-3-yloxy)-octadecoxysilane?
The canonical SMILES for diethyl-(6-ethyloctan-3-yloxy)-octadecoxysilane is CCCCCCCCCCCCCCCCCCO[Si](CC)(CC)OC(CC)CCC(CC)CC.
What is the InChIKey of diethyl-(6-ethyloctan-3-yloxy)-octadecoxysilane?
The InChIKey is AHHNZHQYUHYAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H68O2Si/c1-7-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30-33-35(11-5,12-6)34-32(10-4)29-28-31(8-2)9-3/h31-32H,7-30H2,1-6H3.
What are the key properties of diethyl-(6-ethyloctan-3-yloxy)-octadecoxysilane?
diethyl-(6-ethyloctan-3-yloxy)-octadecoxysilane has a molecular weight of 512.98 g/mol, XLogP of 11.76, 28 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)-octadecoxysilane is sourced from PubChem (CID 91745753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).