dibutoxymethoxy(propyl)silane

C12H28O3Si — CID 154155162

IUPACdibutoxymethoxy(propyl)silane
SMILESCCCCOC(OCCCC)O[SiH2]CCC
InChIInChI=1S/C12H28O3Si/c1-4-7-9-13-12(14-10-8-5-2)15-16-11-6-3/h12H,4-11,16H2,1-3H3
InChIKeyOPXYBIKSRXTJNE-UHFFFAOYSA-N
MW248.44 g/mol
LogP2.83
Rot. Bonds12

About dibutoxymethoxy(propyl)silane

dibutoxymethoxy(propyl)silane (PubChem CID 154155162) has the molecular formula C12H28O3Si and a molecular weight of 248.44 g/mol. Its IUPAC name is dibutoxymethoxy(propyl)silane.

Molecular Properties

Compound Namedibutoxymethoxy(propyl)silane
PubChem CID154155162
Molecular FormulaC12H28O3Si
Molecular Weight248.44 g/mol
Exact Mass248.18
IUPAC Namedibutoxymethoxy(propyl)silane
SMILESCCCCOC(OCCCC)O[SiH2]CCC
InChIInChI=1S/C12H28O3Si/c1-4-7-9-13-12(14-10-8-5-2)15-16-11-6-3/h12H,4-11,16H2,1-3H3
InChIKeyOPXYBIKSRXTJNE-UHFFFAOYSA-N
XLogP2.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 52.83
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-hydroxyethoxy(propylsilyloxy)methoxy]ethanol
CID 173145253
2-(dipropoxymethoxysilyl)ethanethiol
CID 123916528
2-[2-hydroxyethoxy-[3-(methylamino)propylsilyloxy]methoxy]ethanol
CID 123986589
2-(diethoxymethoxysilyl)ethanamine
CID 123825582
heptan-4-yloxy(hexadecyl)silane
CID 123750148
nonan-4-yloxy(3-nonan-4-yloxysilylpropyl)silane
CID 123647255
1-propan-2-yloxybutane;zirconium
CID 174617524
1,1,4,4-tetrabutoxybutane
CID 139887225
methane;1-propan-2-yloxybutane
CID 158518476
heptan-4-yloxy(6-heptan-4-yloxysilylhexyl)silane
CID 123472134
dipentoxymethoxysilane
CID 175221676
magnesium;1-(1-butoxyethoxy)butane;silanide;hydrochloride
CID 174595954

Frequently Asked Questions

What is the IUPAC name of dibutoxymethoxy(propyl)silane?
The IUPAC name of dibutoxymethoxy(propyl)silane (CID 154155162) is dibutoxymethoxy(propyl)silane.
What is the SMILES notation for dibutoxymethoxy(propyl)silane?
The canonical SMILES for dibutoxymethoxy(propyl)silane is CCCCOC(OCCCC)O[SiH2]CCC.
What is the InChIKey of dibutoxymethoxy(propyl)silane?
The InChIKey is OPXYBIKSRXTJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3Si/c1-4-7-9-13-12(14-10-8-5-2)15-16-11-6-3/h12H,4-11,16H2,1-3H3.
What are the key properties of dibutoxymethoxy(propyl)silane?
dibutoxymethoxy(propyl)silane has a molecular weight of 248.44 g/mol, XLogP of 2.83, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxymethoxy(propyl)silane is sourced from PubChem (CID 154155162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).