ditert-butyl-methyl-propan-2-ylsilane

C12H28Si — CID 140729295

IUPACditert-butyl-methyl-propan-2-ylsilane
SMILESCC(C)[Si](C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H28Si/c1-10(2)13(9,11(3,4)5)12(6,7)8/h10H,1-9H3
InChIKeyZMYDZRZWUYICMJ-UHFFFAOYSA-N
MW200.44 g/mol
LogP5.08
Rot. Bonds1

About ditert-butyl-methyl-propan-2-ylsilane

ditert-butyl-methyl-propan-2-ylsilane (PubChem CID 140729295) has the molecular formula C12H28Si and a molecular weight of 200.44 g/mol. Its IUPAC name is ditert-butyl-methyl-propan-2-ylsilane.

Molecular Properties

Compound Nameditert-butyl-methyl-propan-2-ylsilane
PubChem CID140729295
Molecular FormulaC12H28Si
Molecular Weight200.44 g/mol
Exact Mass200.20
IUPAC Nameditert-butyl-methyl-propan-2-ylsilane
SMILESCC(C)[Si](C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H28Si/c1-10(2)13(9,11(3,4)5)12(6,7)8/h10H,1-9H3
InChIKeyZMYDZRZWUYICMJ-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500200.44
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 ditert-butyl-methyl-propan-2-ylsilane?
The IUPAC name of ditert-butyl-methyl-propan-2-ylsilane (CID 140729295) is ditert-butyl-methyl-propan-2-ylsilane.
What is the SMILES notation for ditert-butyl-methyl-propan-2-ylsilane?
The canonical SMILES for ditert-butyl-methyl-propan-2-ylsilane is CC(C)[Si](C)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-methyl-propan-2-ylsilane?
The InChIKey is ZMYDZRZWUYICMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28Si/c1-10(2)13(9,11(3,4)5)12(6,7)8/h10H,1-9H3.
What are the key properties of ditert-butyl-methyl-propan-2-ylsilane?
ditert-butyl-methyl-propan-2-ylsilane has a molecular weight of 200.44 g/mol, XLogP of 5.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-methyl-propan-2-ylsilane is sourced from PubChem (CID 140729295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).