decan-4-yloxy(3-decan-4-yloxysilylpropyl)silane

C23H52O2Si2 — CID 123836653

IUPACdecan-4-yloxy(3-decan-4-yloxysilylpropyl)silane
SMILESCCCCCCC(CCC)O[SiH2]CCC[SiH2]OC(CCC)CCCCCC
InChIInChI=1S/C23H52O2Si2/c1-5-9-11-13-18-22(16-7-3)24-26-20-15-21-27-25-23(17-8-4)19-14-12-10-6-2/h22-23H,5-21,26-27H2,1-4H3
InChIKeyGEEXHVUZPQTGPQ-UHFFFAOYSA-N
MW416.84 g/mol
LogP6.69
Rot. Bonds22

About decan-4-yloxy(3-decan-4-yloxysilylpropyl)silane

decan-4-yloxy(3-decan-4-yloxysilylpropyl)silane (PubChem CID 123836653) has the molecular formula C23H52O2Si2 and a molecular weight of 416.84 g/mol. Its IUPAC name is decan-4-yloxy(3-decan-4-yloxysilylpropyl)silane.

Molecular Properties

Compound Namedecan-4-yloxy(3-decan-4-yloxysilylpropyl)silane
PubChem CID123836653
Molecular FormulaC23H52O2Si2
Molecular Weight416.84 g/mol
Exact Mass416.35
IUPAC Namedecan-4-yloxy(3-decan-4-yloxysilylpropyl)silane
SMILESCCCCCCC(CCC)O[SiH2]CCC[SiH2]OC(CCC)CCCCCC
InChIInChI=1S/C23H52O2Si2/c1-5-9-11-13-18-22(16-7-3)24-26-20-15-21-27-25-23(17-8-4)19-14-12-10-6-2/h22-23H,5-21,26-27H2,1-4H3
InChIKeyGEEXHVUZPQTGPQ-UHFFFAOYSA-N
XLogP6.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.84
LogP ≤ 56.69
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

nonan-4-yloxy(3-nonan-4-yloxysilylpropyl)silane
CID 123647255
heptan-4-yloxy(hexadecyl)silane
CID 123750148
octan-3-yloxy(3-octan-3-yloxysilylpropyl)silane
CID 123694171
heptan-4-yloxy(6-heptan-4-yloxysilylhexyl)silane
CID 123472134
nonan-5-yloxy(4-nonan-5-yloxysilylbutyl)silane
CID 123259328
octan-3-yloxy(4-octan-3-yloxysilylbutyl)silane
CID 123952140
hexan-3-yloxy(4-hexan-3-yloxysilylbutyl)silane
CID 123700274
4-icosan-4-yloxyicosane
CID 87313284
4-hexadecan-5-yloxyhexadecane
CID 57069400
CID 89390199
CID 89390199
5-hexan-3-yloxysilylpentan-1-amine
CID 123592667
dichloromethoxy(hexyl)silane
CID 150153887

Frequently Asked Questions

What is the IUPAC name of decan-4-yloxy(3-decan-4-yloxysilylpropyl)silane?
The IUPAC name of decan-4-yloxy(3-decan-4-yloxysilylpropyl)silane (CID 123836653) is decan-4-yloxy(3-decan-4-yloxysilylpropyl)silane.
What is the SMILES notation for decan-4-yloxy(3-decan-4-yloxysilylpropyl)silane?
The canonical SMILES for decan-4-yloxy(3-decan-4-yloxysilylpropyl)silane is CCCCCCC(CCC)O[SiH2]CCC[SiH2]OC(CCC)CCCCCC.
What is the InChIKey of decan-4-yloxy(3-decan-4-yloxysilylpropyl)silane?
The InChIKey is GEEXHVUZPQTGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H52O2Si2/c1-5-9-11-13-18-22(16-7-3)24-26-20-15-21-27-25-23(17-8-4)19-14-12-10-6-2/h22-23H,5-21,26-27H2,1-4H3.
What are the key properties of decan-4-yloxy(3-decan-4-yloxysilylpropyl)silane?
decan-4-yloxy(3-decan-4-yloxysilylpropyl)silane has a molecular weight of 416.84 g/mol, XLogP of 6.69, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decan-4-yloxy(3-decan-4-yloxysilylpropyl)silane is sourced from PubChem (CID 123836653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).