diethyl-octadecoxy-pentan-2-yloxysilane

C27H58O2Si — CID 91744997

IUPACdiethyl-octadecoxy-pentan-2-yloxysilane
SMILESCCCCCCCCCCCCCCCCCCO[Si](CC)(CC)OC(C)CCC
InChIInChI=1S/C27H58O2Si/c1-6-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30(8-3,9-4)29-27(5)25-7-2/h27H,6-26H2,1-5H3
InChIKeyPYNOOTGPWPJERV-UHFFFAOYSA-N
MW442.85 g/mol
LogP9.95
Rot. Bonds24

About diethyl-octadecoxy-pentan-2-yloxysilane

diethyl-octadecoxy-pentan-2-yloxysilane (PubChem CID 91744997) has the molecular formula C27H58O2Si and a molecular weight of 442.85 g/mol. Its IUPAC name is diethyl-octadecoxy-pentan-2-yloxysilane.

Molecular Properties

Compound Namediethyl-octadecoxy-pentan-2-yloxysilane
PubChem CID91744997
Molecular FormulaC27H58O2Si
Molecular Weight442.85 g/mol
Exact Mass442.42
IUPAC Namediethyl-octadecoxy-pentan-2-yloxysilane
SMILESCCCCCCCCCCCCCCCCCCO[Si](CC)(CC)OC(C)CCC
InChIInChI=1S/C27H58O2Si/c1-6-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30(8-3,9-4)29-27(5)25-7-2/h27H,6-26H2,1-5H3
InChIKeyPYNOOTGPWPJERV-UHFFFAOYSA-N
XLogP9.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.85
LogP ≤ 59.95
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-(4-methylpentoxy)-pentan-2-yloxysilane
CID 91738212
diethyl-(4-methylpentan-2-yloxy)-octadecoxysilane
CID 91745192
decoxy-diethyl-heptan-4-yloxysilane
CID 91742826
diethyl-octadecoxy-octan-4-yloxysilane
CID 91745529
diethyl-hexadecoxy-octan-4-yloxysilane
CID 91745179
dimethyl-octoxy-pentan-2-yloxysilane
CID 91736775
diethyl-nonoxy-pentoxysilane
CID 91741088
diethyl-pentoxy-undecoxysilane
CID 91742318
diethyl-hexoxy-undecoxysilane
CID 91742902
diethyl-pentadecoxy-tetradecoxysilane
CID 91745841
dodecoxy-diethyl-octoxysilane
CID 91744145
decoxy-diethyl-nonoxysilane
CID 91743782

Frequently Asked Questions

What is the IUPAC name of diethyl-octadecoxy-pentan-2-yloxysilane?
The IUPAC name of diethyl-octadecoxy-pentan-2-yloxysilane (CID 91744997) is diethyl-octadecoxy-pentan-2-yloxysilane.
What is the SMILES notation for diethyl-octadecoxy-pentan-2-yloxysilane?
The canonical SMILES for diethyl-octadecoxy-pentan-2-yloxysilane is CCCCCCCCCCCCCCCCCCO[Si](CC)(CC)OC(C)CCC.
What is the InChIKey of diethyl-octadecoxy-pentan-2-yloxysilane?
The InChIKey is PYNOOTGPWPJERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H58O2Si/c1-6-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30(8-3,9-4)29-27(5)25-7-2/h27H,6-26H2,1-5H3.
What are the key properties of diethyl-octadecoxy-pentan-2-yloxysilane?
diethyl-octadecoxy-pentan-2-yloxysilane has a molecular weight of 442.85 g/mol, XLogP of 9.95, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-octadecoxy-pentan-2-yloxysilane is sourced from PubChem (CID 91744997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).