dioctadecoxysilane

C36H76O2Si — CID 175166097

IUPACdioctadecoxysilane
SMILESCCCCCCCCCCCCCCCCCCO[SiH2]OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H76O2Si/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36,39H2,1-2H3
InChIKeyGYPDUEDPAFLGBE-UHFFFAOYSA-N
MW569.09 g/mol
LogP12.54
Rot. Bonds36

About dioctadecoxysilane

dioctadecoxysilane (PubChem CID 175166097) has the molecular formula C36H76O2Si and a molecular weight of 569.09 g/mol. Its IUPAC name is dioctadecoxysilane.

Molecular Properties

Compound Namedioctadecoxysilane
PubChem CID175166097
Molecular FormulaC36H76O2Si
Molecular Weight569.09 g/mol
Exact Mass568.56
IUPAC Namedioctadecoxysilane
SMILESCCCCCCCCCCCCCCCCCCO[SiH2]OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H76O2Si/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36,39H2,1-2H3
InChIKeyGYPDUEDPAFLGBE-UHFFFAOYSA-N
XLogP12.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds36
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.09
LogP ≤ 512.54
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

1-octoxyoctane;titanium
CID 158207327
butoxy(propoxy)silane;ethanol;molybdenum
CID 159427488
octadecane;titanium
CID 161312984
decane;ruthenium
CID 160818595
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
dodecylmercury;hydrate
CID 78070234
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-octylperoxynonane
CID 151564626

Frequently Asked Questions

What is the IUPAC name of dioctadecoxysilane?
The IUPAC name of dioctadecoxysilane (CID 175166097) is dioctadecoxysilane.
What is the SMILES notation for dioctadecoxysilane?
The canonical SMILES for dioctadecoxysilane is CCCCCCCCCCCCCCCCCCO[SiH2]OCCCCCCCCCCCCCCCCCC.
What is the InChIKey of dioctadecoxysilane?
The InChIKey is GYPDUEDPAFLGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H76O2Si/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36,39H2,1-2H3.
What are the key properties of dioctadecoxysilane?
dioctadecoxysilane has a molecular weight of 569.09 g/mol, XLogP of 12.54, 36 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dioctadecoxysilane is sourced from PubChem (CID 175166097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).