tert-butyl-(iodomethyl)-di(propan-2-yloxy)silane

C11H25IO2Si — CID 23146681

IUPACtert-butyl-(iodomethyl)-di(propan-2-yloxy)silane
SMILESCC(C)O[Si](CI)(OC(C)C)C(C)(C)C
InChIInChI=1S/C11H25IO2Si/c1-9(2)13-15(8-12,11(5,6)7)14-10(3)4/h9-10H,8H2,1-7H3
InChIKeyVAQCKYPQZADANJ-UHFFFAOYSA-N
MW344.31 g/mol
LogP4.05
Rot. Bonds5

About tert-butyl-(iodomethyl)-di(propan-2-yloxy)silane

tert-butyl-(iodomethyl)-di(propan-2-yloxy)silane (PubChem CID 23146681) has the molecular formula C11H25IO2Si and a molecular weight of 344.31 g/mol. Its IUPAC name is tert-butyl-(iodomethyl)-di(propan-2-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-(iodomethyl)-di(propan-2-yloxy)silane
PubChem CID23146681
Molecular FormulaC11H25IO2Si
Molecular Weight344.31 g/mol
Exact Mass344.07
IUPAC Nametert-butyl-(iodomethyl)-di(propan-2-yloxy)silane
SMILESCC(C)O[Si](CI)(OC(C)C)C(C)(C)C
InChIInChI=1S/C11H25IO2Si/c1-9(2)13-15(8-12,11(5,6)7)14-10(3)4/h9-10H,8H2,1-7H3
InChIKeyVAQCKYPQZADANJ-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(iodomethyl)-di(propan-2-yloxy)silane?
The IUPAC name of tert-butyl-(iodomethyl)-di(propan-2-yloxy)silane (CID 23146681) is tert-butyl-(iodomethyl)-di(propan-2-yloxy)silane.
What is the SMILES notation for tert-butyl-(iodomethyl)-di(propan-2-yloxy)silane?
The canonical SMILES for tert-butyl-(iodomethyl)-di(propan-2-yloxy)silane is CC(C)O[Si](CI)(OC(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl-(iodomethyl)-di(propan-2-yloxy)silane?
The InChIKey is VAQCKYPQZADANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25IO2Si/c1-9(2)13-15(8-12,11(5,6)7)14-10(3)4/h9-10H,8H2,1-7H3.
What are the key properties of tert-butyl-(iodomethyl)-di(propan-2-yloxy)silane?
tert-butyl-(iodomethyl)-di(propan-2-yloxy)silane has a molecular weight of 344.31 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(iodomethyl)-di(propan-2-yloxy)silane is sourced from PubChem (CID 23146681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).