bis(2-methylpropoxy)methyl-tert-butyl-propan-2-ylsilane

C16H36O2Si — CID 123871934

IUPACbis(2-methylpropoxy)methyl-tert-butyl-propan-2-ylsilane
SMILESCC(C)COC(OCC(C)C)[SiH](C(C)C)C(C)(C)C
InChIInChI=1S/C16H36O2Si/c1-12(2)10-17-15(18-11-13(3)4)19(14(5)6)16(7,8)9/h12-15,19H,10-11H2,1-9H3
InChIKeyLHFYLOMMCYBQSZ-UHFFFAOYSA-N
MW288.55 g/mol
LogP4.63
Rot. Bonds8

About bis(2-methylpropoxy)methyl-tert-butyl-propan-2-ylsilane

bis(2-methylpropoxy)methyl-tert-butyl-propan-2-ylsilane (PubChem CID 123871934) has the molecular formula C16H36O2Si and a molecular weight of 288.55 g/mol. Its IUPAC name is bis(2-methylpropoxy)methyl-tert-butyl-propan-2-ylsilane.

Molecular Properties

Compound Namebis(2-methylpropoxy)methyl-tert-butyl-propan-2-ylsilane
PubChem CID123871934
Molecular FormulaC16H36O2Si
Molecular Weight288.55 g/mol
Exact Mass288.25
IUPAC Namebis(2-methylpropoxy)methyl-tert-butyl-propan-2-ylsilane
SMILESCC(C)COC(OCC(C)C)[SiH](C(C)C)C(C)(C)C
InChIInChI=1S/C16H36O2Si/c1-12(2)10-17-15(18-11-13(3)4)19(14(5)6)16(7,8)9/h12-15,19H,10-11H2,1-9H3
InChIKeyLHFYLOMMCYBQSZ-UHFFFAOYSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.55
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropoxy)methyl-tert-butyl-propan-2-ylsilane?
The IUPAC name of bis(2-methylpropoxy)methyl-tert-butyl-propan-2-ylsilane (CID 123871934) is bis(2-methylpropoxy)methyl-tert-butyl-propan-2-ylsilane.
What is the SMILES notation for bis(2-methylpropoxy)methyl-tert-butyl-propan-2-ylsilane?
The canonical SMILES for bis(2-methylpropoxy)methyl-tert-butyl-propan-2-ylsilane is CC(C)COC(OCC(C)C)[SiH](C(C)C)C(C)(C)C.
What is the InChIKey of bis(2-methylpropoxy)methyl-tert-butyl-propan-2-ylsilane?
The InChIKey is LHFYLOMMCYBQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O2Si/c1-12(2)10-17-15(18-11-13(3)4)19(14(5)6)16(7,8)9/h12-15,19H,10-11H2,1-9H3.
What are the key properties of bis(2-methylpropoxy)methyl-tert-butyl-propan-2-ylsilane?
bis(2-methylpropoxy)methyl-tert-butyl-propan-2-ylsilane has a molecular weight of 288.55 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropoxy)methyl-tert-butyl-propan-2-ylsilane is sourced from PubChem (CID 123871934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).