di(butan-2-yl)-bis(2-methylpropoxy)silane

C16H36O2Si — CID 87459611

IUPACdi(butan-2-yl)-bis(2-methylpropoxy)silane
SMILESCCC(C)[Si](OCC(C)C)(OCC(C)C)C(C)CC
InChIInChI=1S/C16H36O2Si/c1-9-15(7)19(16(8)10-2,17-11-13(3)4)18-12-14(5)6/h13-16H,9-12H2,1-8H3
InChIKeyLQMXQRJNBBSLHH-UHFFFAOYSA-N
MW288.55 g/mol
LogP5.37
Rot. Bonds10

About di(butan-2-yl)-bis(2-methylpropoxy)silane

di(butan-2-yl)-bis(2-methylpropoxy)silane (PubChem CID 87459611) has the molecular formula C16H36O2Si and a molecular weight of 288.55 g/mol. Its IUPAC name is di(butan-2-yl)-bis(2-methylpropoxy)silane.

Molecular Properties

Compound Namedi(butan-2-yl)-bis(2-methylpropoxy)silane
PubChem CID87459611
Molecular FormulaC16H36O2Si
Molecular Weight288.55 g/mol
Exact Mass288.25
IUPAC Namedi(butan-2-yl)-bis(2-methylpropoxy)silane
SMILESCCC(C)[Si](OCC(C)C)(OCC(C)C)C(C)CC
InChIInChI=1S/C16H36O2Si/c1-9-15(7)19(16(8)10-2,17-11-13(3)4)18-12-14(5)6/h13-16H,9-12H2,1-8H3
InChIKeyLQMXQRJNBBSLHH-UHFFFAOYSA-N
XLogP5.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.55
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of di(butan-2-yl)-bis(2-methylpropoxy)silane?
The IUPAC name of di(butan-2-yl)-bis(2-methylpropoxy)silane (CID 87459611) is di(butan-2-yl)-bis(2-methylpropoxy)silane.
What is the SMILES notation for di(butan-2-yl)-bis(2-methylpropoxy)silane?
The canonical SMILES for di(butan-2-yl)-bis(2-methylpropoxy)silane is CCC(C)[Si](OCC(C)C)(OCC(C)C)C(C)CC.
What is the InChIKey of di(butan-2-yl)-bis(2-methylpropoxy)silane?
The InChIKey is LQMXQRJNBBSLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O2Si/c1-9-15(7)19(16(8)10-2,17-11-13(3)4)18-12-14(5)6/h13-16H,9-12H2,1-8H3.
What are the key properties of di(butan-2-yl)-bis(2-methylpropoxy)silane?
di(butan-2-yl)-bis(2-methylpropoxy)silane has a molecular weight of 288.55 g/mol, XLogP of 5.37, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(butan-2-yl)-bis(2-methylpropoxy)silane is sourced from PubChem (CID 87459611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).