diethyl-octadecoxy-octan-4-yloxysilane

C30H64O2Si — CID 91745529

IUPACdiethyl-octadecoxy-octan-4-yloxysilane
SMILESCCCCCCCCCCCCCCCCCCO[Si](CC)(CC)OC(CCC)CCCC
InChIInChI=1S/C30H64O2Si/c1-6-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-31-33(9-4,10-5)32-30(27-8-3)28-12-7-2/h30H,6-29H2,1-5H3
InChIKeyHQQICGWBUMTUIS-UHFFFAOYSA-N
MW484.93 g/mol
LogP11.12
Rot. Bonds27

About diethyl-octadecoxy-octan-4-yloxysilane

diethyl-octadecoxy-octan-4-yloxysilane (PubChem CID 91745529) has the molecular formula C30H64O2Si and a molecular weight of 484.93 g/mol. Its IUPAC name is diethyl-octadecoxy-octan-4-yloxysilane.

Molecular Properties

Compound Namediethyl-octadecoxy-octan-4-yloxysilane
PubChem CID91745529
Molecular FormulaC30H64O2Si
Molecular Weight484.93 g/mol
Exact Mass484.47
IUPAC Namediethyl-octadecoxy-octan-4-yloxysilane
SMILESCCCCCCCCCCCCCCCCCCO[Si](CC)(CC)OC(CCC)CCCC
InChIInChI=1S/C30H64O2Si/c1-6-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-31-33(9-4,10-5)32-30(27-8-3)28-12-7-2/h30H,6-29H2,1-5H3
InChIKeyHQQICGWBUMTUIS-UHFFFAOYSA-N
XLogP11.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.93
LogP ≤ 511.12
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'}

Analyze diethyl-octadecoxy-octan-4-yloxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl-hexadecoxy-octan-4-yloxysilane
CID 91745179
decoxy-diethyl-heptan-4-yloxysilane
CID 91742826
diethyl-octadecoxy-pentan-2-yloxysilane
CID 91744997
diethyl-pentoxy-undecoxysilane
CID 91742318
diethyl-pentadecoxy-tetradecoxysilane
CID 91745841
dodecoxy-diethyl-octoxysilane
CID 91744145
diethyl-hexoxy-undecoxysilane
CID 91742902
diethyl-nonoxy-pentoxysilane
CID 91741088
decoxy-diethyl-nonoxysilane
CID 91743782
diethyl-pentadecoxy-tridecoxysilane
CID 91745757
ethenyl-methyl-octan-4-yloxy-tridecoxysilane
CID 91743291
diethyl-(3-methylbutoxy)-pentadecoxysilane
CID 91744142

Frequently Asked Questions

What is the IUPAC name of diethyl-octadecoxy-octan-4-yloxysilane?
The IUPAC name of diethyl-octadecoxy-octan-4-yloxysilane (CID 91745529) is diethyl-octadecoxy-octan-4-yloxysilane.
What is the SMILES notation for diethyl-octadecoxy-octan-4-yloxysilane?
The canonical SMILES for diethyl-octadecoxy-octan-4-yloxysilane is CCCCCCCCCCCCCCCCCCO[Si](CC)(CC)OC(CCC)CCCC.
What is the InChIKey of diethyl-octadecoxy-octan-4-yloxysilane?
The InChIKey is HQQICGWBUMTUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H64O2Si/c1-6-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-31-33(9-4,10-5)32-30(27-8-3)28-12-7-2/h30H,6-29H2,1-5H3.
What are the key properties of diethyl-octadecoxy-octan-4-yloxysilane?
diethyl-octadecoxy-octan-4-yloxysilane has a molecular weight of 484.93 g/mol, XLogP of 11.12, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-octadecoxy-octan-4-yloxysilane is sourced from PubChem (CID 91745529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).