di(butan-2-yloxy)-butyl-methoxysilane

C13H30O3Si — CID 71349639

IUPACdi(butan-2-yloxy)-butyl-methoxysilane
SMILESCCCC[Si](OC)(OC(C)CC)OC(C)CC
InChIInChI=1S/C13H30O3Si/c1-7-10-11-17(14-6,15-12(4)8-2)16-13(5)9-3/h12-13H,7-11H2,1-6H3
InChIKeyPUSFYXXKGGRDOT-UHFFFAOYSA-N
MW262.47 g/mol
LogP4.00
Rot. Bonds10

About di(butan-2-yloxy)-butyl-methoxysilane

di(butan-2-yloxy)-butyl-methoxysilane (PubChem CID 71349639) has the molecular formula C13H30O3Si and a molecular weight of 262.47 g/mol. Its IUPAC name is di(butan-2-yloxy)-butyl-methoxysilane.

Molecular Properties

Compound Namedi(butan-2-yloxy)-butyl-methoxysilane
PubChem CID71349639
Molecular FormulaC13H30O3Si
Molecular Weight262.47 g/mol
Exact Mass262.20
IUPAC Namedi(butan-2-yloxy)-butyl-methoxysilane
SMILESCCCC[Si](OC)(OC(C)CC)OC(C)CC
InChIInChI=1S/C13H30O3Si/c1-7-10-11-17(14-6,15-12(4)8-2)16-13(5)9-3/h12-13H,7-11H2,1-6H3
InChIKeyPUSFYXXKGGRDOT-UHFFFAOYSA-N
XLogP4.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.47
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

di(butan-2-yloxy)-butyl-tert-butylsilane
CID 18990654
di(butan-2-yloxy)-butyl-ethylsilane
CID 87899726
hexadecyl-dimethoxy-propan-2-yloxysilane
CID 154147118
azane;trimethoxy(pentyl)silane
CID 19608931
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
dodecyl(trimethoxy)silane;octane
CID 174570785
trimethoxy(undecyl)silane;hydrobromide
CID 172731268
dodecyl(trimethoxy)silane;λ2-plumbane
CID 175120013
butyl-methoxy-dipropoxysilane
CID 18672915

Frequently Asked Questions

What is the IUPAC name of di(butan-2-yloxy)-butyl-methoxysilane?
The IUPAC name of di(butan-2-yloxy)-butyl-methoxysilane (CID 71349639) is di(butan-2-yloxy)-butyl-methoxysilane.
What is the SMILES notation for di(butan-2-yloxy)-butyl-methoxysilane?
The canonical SMILES for di(butan-2-yloxy)-butyl-methoxysilane is CCCC[Si](OC)(OC(C)CC)OC(C)CC.
What is the InChIKey of di(butan-2-yloxy)-butyl-methoxysilane?
The InChIKey is PUSFYXXKGGRDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O3Si/c1-7-10-11-17(14-6,15-12(4)8-2)16-13(5)9-3/h12-13H,7-11H2,1-6H3.
What are the key properties of di(butan-2-yloxy)-butyl-methoxysilane?
di(butan-2-yloxy)-butyl-methoxysilane has a molecular weight of 262.47 g/mol, XLogP of 4.00, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(butan-2-yloxy)-butyl-methoxysilane is sourced from PubChem (CID 71349639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).