di(butan-2-yloxy)-butyl-tert-butylsilane

C16H36O2Si — CID 18990654

IUPACdi(butan-2-yloxy)-butyl-tert-butylsilane
SMILESCCCC[Si](OC(C)CC)(OC(C)CC)C(C)(C)C
InChIInChI=1S/C16H36O2Si/c1-9-12-13-19(16(6,7)8,17-14(4)10-2)18-15(5)11-3/h14-15H,9-13H2,1-8H3
InChIKeyKSTMAEKBCFWSAS-UHFFFAOYSA-N
MW288.55 g/mol
LogP5.66
Rot. Bonds9

About di(butan-2-yloxy)-butyl-tert-butylsilane

di(butan-2-yloxy)-butyl-tert-butylsilane (PubChem CID 18990654) has the molecular formula C16H36O2Si and a molecular weight of 288.55 g/mol. Its IUPAC name is di(butan-2-yloxy)-butyl-tert-butylsilane.

Molecular Properties

Compound Namedi(butan-2-yloxy)-butyl-tert-butylsilane
PubChem CID18990654
Molecular FormulaC16H36O2Si
Molecular Weight288.55 g/mol
Exact Mass288.25
IUPAC Namedi(butan-2-yloxy)-butyl-tert-butylsilane
SMILESCCCC[Si](OC(C)CC)(OC(C)CC)C(C)(C)C
InChIInChI=1S/C16H36O2Si/c1-9-12-13-19(16(6,7)8,17-14(4)10-2)18-15(5)11-3/h14-15H,9-13H2,1-8H3
InChIKeyKSTMAEKBCFWSAS-UHFFFAOYSA-N
XLogP5.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.55
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

di(butan-2-yloxy)-butyl-methoxysilane
CID 71349639
di(butan-2-yloxy)-butyl-ethylsilane
CID 87899726
butan-2-yloxy-tert-butyl-dimethylsilane;methane
CID 158755840
butan-2-yloxy-dimethyl-propylsilane
CID 87645546
tert-butyl-dimethoxy-tridecylsilane
CID 18990666
tri(butan-2-yloxy)-[2-tri(butan-2-yloxy)silylethyl]silane;tris[(2-methylpropan-2-yl)oxy]-[2-[tris[(2-methylpropan-2-yl)oxy]silyl]ethyl]silane
CID 161065404
tert-butyl-[4-[tert-butyl(dipropoxy)silyl]butyl]-dipropoxysilane
CID 87144385
bis(butan-1-ol);bis(tri(butan-2-yloxy)-hydroxysilane);zirconium
CID 140942671
tert-butyl-ethoxy-heptadecyl-methoxysilane
CID 18990695
tert-butyl-ethoxy-heptyl-methoxysilane
CID 18990691
tert-butyl-dimethyl-tridecan-2-yloxysilane
CID 102272520
tert-butyl-dimethyl-pentadecan-2-yloxysilane
CID 6430239

Frequently Asked Questions

What is the IUPAC name of di(butan-2-yloxy)-butyl-tert-butylsilane?
The IUPAC name of di(butan-2-yloxy)-butyl-tert-butylsilane (CID 18990654) is di(butan-2-yloxy)-butyl-tert-butylsilane.
What is the SMILES notation for di(butan-2-yloxy)-butyl-tert-butylsilane?
The canonical SMILES for di(butan-2-yloxy)-butyl-tert-butylsilane is CCCC[Si](OC(C)CC)(OC(C)CC)C(C)(C)C.
What is the InChIKey of di(butan-2-yloxy)-butyl-tert-butylsilane?
The InChIKey is KSTMAEKBCFWSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O2Si/c1-9-12-13-19(16(6,7)8,17-14(4)10-2)18-15(5)11-3/h14-15H,9-13H2,1-8H3.
What are the key properties of di(butan-2-yloxy)-butyl-tert-butylsilane?
di(butan-2-yloxy)-butyl-tert-butylsilane has a molecular weight of 288.55 g/mol, XLogP of 5.66, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(butan-2-yloxy)-butyl-tert-butylsilane is sourced from PubChem (CID 18990654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).