diethoxy-octyl-pentadecan-2-yloxysilane

C27H58O3Si — CID 150899900

IUPACdiethoxy-octyl-pentadecan-2-yloxysilane
SMILESCCCCCCCCCCCCCC(C)O[Si](CCCCCCCC)(OCC)OCC
InChIInChI=1S/C27H58O3Si/c1-6-10-12-14-16-17-18-19-20-21-23-25-27(5)30-31(28-8-3,29-9-4)26-24-22-15-13-11-7-2/h27H,6-26H2,1-5H3
InChIKeyKZUDODLIIRDHNH-UHFFFAOYSA-N
MW458.84 g/mol
LogP9.47
Rot. Bonds25

About diethoxy-octyl-pentadecan-2-yloxysilane

diethoxy-octyl-pentadecan-2-yloxysilane (PubChem CID 150899900) has the molecular formula C27H58O3Si and a molecular weight of 458.84 g/mol. Its IUPAC name is diethoxy-octyl-pentadecan-2-yloxysilane.

Molecular Properties

Compound Namediethoxy-octyl-pentadecan-2-yloxysilane
PubChem CID150899900
Molecular FormulaC27H58O3Si
Molecular Weight458.84 g/mol
Exact Mass458.42
IUPAC Namediethoxy-octyl-pentadecan-2-yloxysilane
SMILESCCCCCCCCCCCCCC(C)O[Si](CCCCCCCC)(OCC)OCC
InChIInChI=1S/C27H58O3Si/c1-6-10-12-14-16-17-18-19-20-21-23-25-27(5)30-31(28-8-3,29-9-4)26-24-22-15-13-11-7-2/h27H,6-26H2,1-5H3
InChIKeyKZUDODLIIRDHNH-UHFFFAOYSA-N
XLogP9.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.84
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

diethoxy-ethyl-pentadecan-2-yloxysilane
CID 161487251
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
diethoxy-hexadecan-2-yloxy-methylsilane
CID 176915381
diethoxy-hexadecan-2-yloxy-hydroxysilane
CID 176893996
triethoxy(8-fluorohenicosyl)silane
CID 87070985
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
triethoxy(pentyl)silane;hydrofluoride
CID 174582602
butyl-dimethyl-tetradecan-2-yloxysilane
CID 554593
tetraethyl silicate;triethoxy(octyl)silane
CID 174926814

Frequently Asked Questions

What is the IUPAC name of diethoxy-octyl-pentadecan-2-yloxysilane?
The IUPAC name of diethoxy-octyl-pentadecan-2-yloxysilane (CID 150899900) is diethoxy-octyl-pentadecan-2-yloxysilane.
What is the SMILES notation for diethoxy-octyl-pentadecan-2-yloxysilane?
The canonical SMILES for diethoxy-octyl-pentadecan-2-yloxysilane is CCCCCCCCCCCCCC(C)O[Si](CCCCCCCC)(OCC)OCC.
What is the InChIKey of diethoxy-octyl-pentadecan-2-yloxysilane?
The InChIKey is KZUDODLIIRDHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H58O3Si/c1-6-10-12-14-16-17-18-19-20-21-23-25-27(5)30-31(28-8-3,29-9-4)26-24-22-15-13-11-7-2/h27H,6-26H2,1-5H3.
What are the key properties of diethoxy-octyl-pentadecan-2-yloxysilane?
diethoxy-octyl-pentadecan-2-yloxysilane has a molecular weight of 458.84 g/mol, XLogP of 9.47, 25 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-octyl-pentadecan-2-yloxysilane is sourced from PubChem (CID 150899900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).