diethyl-hexadecoxy-octan-4-yloxysilane

C28H60O2Si — CID 91745179

IUPACdiethyl-hexadecoxy-octan-4-yloxysilane
SMILESCCCCCCCCCCCCCCCCO[Si](CC)(CC)OC(CCC)CCCC
InChIInChI=1S/C28H60O2Si/c1-6-11-13-14-15-16-17-18-19-20-21-22-23-24-27-29-31(9-4,10-5)30-28(25-8-3)26-12-7-2/h28H,6-27H2,1-5H3
InChIKeyHCWZGEYOZDTCCW-UHFFFAOYSA-N
MW456.87 g/mol
LogP10.34
Rot. Bonds25

About diethyl-hexadecoxy-octan-4-yloxysilane

diethyl-hexadecoxy-octan-4-yloxysilane (PubChem CID 91745179) has the molecular formula C28H60O2Si and a molecular weight of 456.87 g/mol. Its IUPAC name is diethyl-hexadecoxy-octan-4-yloxysilane.

Molecular Properties

Compound Namediethyl-hexadecoxy-octan-4-yloxysilane
PubChem CID91745179
Molecular FormulaC28H60O2Si
Molecular Weight456.87 g/mol
Exact Mass456.44
IUPAC Namediethyl-hexadecoxy-octan-4-yloxysilane
SMILESCCCCCCCCCCCCCCCCO[Si](CC)(CC)OC(CCC)CCCC
InChIInChI=1S/C28H60O2Si/c1-6-11-13-14-15-16-17-18-19-20-21-22-23-24-27-29-31(9-4,10-5)30-28(25-8-3)26-12-7-2/h28H,6-27H2,1-5H3
InChIKeyHCWZGEYOZDTCCW-UHFFFAOYSA-N
XLogP10.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.87
LogP ≤ 510.34
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

diethyl-octadecoxy-octan-4-yloxysilane
CID 91745529
decoxy-diethyl-heptan-4-yloxysilane
CID 91742826
diethyl-octadecoxy-pentan-2-yloxysilane
CID 91744997
diethyl-pentoxy-undecoxysilane
CID 91742318
decoxy-diethyl-nonoxysilane
CID 91743782
diethyl-pentadecoxy-tridecoxysilane
CID 91745757
diethyl-hexoxy-undecoxysilane
CID 91742902
diethyl-pentadecoxy-tetradecoxysilane
CID 91745841
dodecoxy-diethyl-octoxysilane
CID 91744145
diethyl-nonoxy-pentoxysilane
CID 91741088
ethenyl-methyl-octan-4-yloxy-tridecoxysilane
CID 91743291
diethyl-(3-methylbutoxy)-pentadecoxysilane
CID 91744142

Frequently Asked Questions

What is the IUPAC name of diethyl-hexadecoxy-octan-4-yloxysilane?
The IUPAC name of diethyl-hexadecoxy-octan-4-yloxysilane (CID 91745179) is diethyl-hexadecoxy-octan-4-yloxysilane.
What is the SMILES notation for diethyl-hexadecoxy-octan-4-yloxysilane?
The canonical SMILES for diethyl-hexadecoxy-octan-4-yloxysilane is CCCCCCCCCCCCCCCCO[Si](CC)(CC)OC(CCC)CCCC.
What is the InChIKey of diethyl-hexadecoxy-octan-4-yloxysilane?
The InChIKey is HCWZGEYOZDTCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60O2Si/c1-6-11-13-14-15-16-17-18-19-20-21-22-23-24-27-29-31(9-4,10-5)30-28(25-8-3)26-12-7-2/h28H,6-27H2,1-5H3.
What are the key properties of diethyl-hexadecoxy-octan-4-yloxysilane?
diethyl-hexadecoxy-octan-4-yloxysilane has a molecular weight of 456.87 g/mol, XLogP of 10.34, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-hexadecoxy-octan-4-yloxysilane is sourced from PubChem (CID 91745179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).