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

C21H48O2Si2 — CID 123647255

IUPACnonan-4-yloxy(3-nonan-4-yloxysilylpropyl)silane
SMILESCCCCCC(CCC)O[SiH2]CCC[SiH2]OC(CCC)CCCCC
InChIInChI=1S/C21H48O2Si2/c1-5-9-11-16-20(14-7-3)22-24-18-13-19-25-23-21(15-8-4)17-12-10-6-2/h20-21H,5-19,24-25H2,1-4H3
InChIKeyTVBUMNXHMVFJOM-UHFFFAOYSA-N
MW388.79 g/mol
LogP5.91
Rot. Bonds20

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

nonan-4-yloxy(3-nonan-4-yloxysilylpropyl)silane (PubChem CID 123647255) has the molecular formula C21H48O2Si2 and a molecular weight of 388.79 g/mol. Its IUPAC name is nonan-4-yloxy(3-nonan-4-yloxysilylpropyl)silane.

Molecular Properties

Compound Namenonan-4-yloxy(3-nonan-4-yloxysilylpropyl)silane
PubChem CID123647255
Molecular FormulaC21H48O2Si2
Molecular Weight388.79 g/mol
Exact Mass388.32
IUPAC Namenonan-4-yloxy(3-nonan-4-yloxysilylpropyl)silane
SMILESCCCCCC(CCC)O[SiH2]CCC[SiH2]OC(CCC)CCCCC
InChIInChI=1S/C21H48O2Si2/c1-5-9-11-16-20(14-7-3)22-24-18-13-19-25-23-21(15-8-4)17-12-10-6-2/h20-21H,5-19,24-25H2,1-4H3
InChIKeyTVBUMNXHMVFJOM-UHFFFAOYSA-N
XLogP5.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.79
LogP ≤ 55.91
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

decan-4-yloxy(3-decan-4-yloxysilylpropyl)silane
CID 123836653
octan-3-yloxy(3-octan-3-yloxysilylpropyl)silane
CID 123694171
heptan-4-yloxy(hexadecyl)silane
CID 123750148
nonan-5-yloxy(4-nonan-5-yloxysilylbutyl)silane
CID 123259328
octan-3-yloxy(4-octan-3-yloxysilylbutyl)silane
CID 123952140
heptan-4-yloxy(6-heptan-4-yloxysilylhexyl)silane
CID 123472134
hexan-3-yloxy(4-hexan-3-yloxysilylbutyl)silane
CID 123700274
4-icosan-4-yloxyicosane
CID 87313284
4-hexadecan-5-yloxyhexadecane
CID 57069400
heptan-4-yloxy(2-methylpropyl)silane
CID 123412340
5-hexan-3-yloxysilylpentan-1-amine
CID 123592667
CID 89390199
CID 89390199

Frequently Asked Questions

What is the IUPAC name of nonan-4-yloxy(3-nonan-4-yloxysilylpropyl)silane?
The IUPAC name of nonan-4-yloxy(3-nonan-4-yloxysilylpropyl)silane (CID 123647255) is nonan-4-yloxy(3-nonan-4-yloxysilylpropyl)silane.
What is the SMILES notation for nonan-4-yloxy(3-nonan-4-yloxysilylpropyl)silane?
The canonical SMILES for nonan-4-yloxy(3-nonan-4-yloxysilylpropyl)silane is CCCCCC(CCC)O[SiH2]CCC[SiH2]OC(CCC)CCCCC.
What is the InChIKey of nonan-4-yloxy(3-nonan-4-yloxysilylpropyl)silane?
The InChIKey is TVBUMNXHMVFJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H48O2Si2/c1-5-9-11-16-20(14-7-3)22-24-18-13-19-25-23-21(15-8-4)17-12-10-6-2/h20-21H,5-19,24-25H2,1-4H3.
What are the key properties of nonan-4-yloxy(3-nonan-4-yloxysilylpropyl)silane?
nonan-4-yloxy(3-nonan-4-yloxysilylpropyl)silane has a molecular weight of 388.79 g/mol, XLogP of 5.91, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonan-4-yloxy(3-nonan-4-yloxysilylpropyl)silane is sourced from PubChem (CID 123647255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).