tert-butyl-(4-iodopentan-2-yloxy)-dimethylsilane

C11H25IOSi — CID 19904709

IUPACtert-butyl-(4-iodopentan-2-yloxy)-dimethylsilane
SMILESCC(I)CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H25IOSi/c1-9(12)8-10(2)13-14(6,7)11(3,4)5/h9-10H,8H2,1-7H3
InChIKeyCKQSGIAACVSXQO-UHFFFAOYSA-N
MW328.31 g/mol
LogP4.61
Rot. Bonds4

About tert-butyl-(4-iodopentan-2-yloxy)-dimethylsilane

tert-butyl-(4-iodopentan-2-yloxy)-dimethylsilane (PubChem CID 19904709) has the molecular formula C11H25IOSi and a molecular weight of 328.31 g/mol. Its IUPAC name is tert-butyl-(4-iodopentan-2-yloxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(4-iodopentan-2-yloxy)-dimethylsilane
PubChem CID19904709
Molecular FormulaC11H25IOSi
Molecular Weight328.31 g/mol
Exact Mass328.07
IUPAC Nametert-butyl-(4-iodopentan-2-yloxy)-dimethylsilane
SMILESCC(I)CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H25IOSi/c1-9(12)8-10(2)13-14(6,7)11(3,4)5/h9-10H,8H2,1-7H3
InChIKeyCKQSGIAACVSXQO-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(4-iodopentan-2-yloxy)-dimethylsilane?
The IUPAC name of tert-butyl-(4-iodopentan-2-yloxy)-dimethylsilane (CID 19904709) is tert-butyl-(4-iodopentan-2-yloxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(4-iodopentan-2-yloxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(4-iodopentan-2-yloxy)-dimethylsilane is CC(I)CC(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(4-iodopentan-2-yloxy)-dimethylsilane?
The InChIKey is CKQSGIAACVSXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25IOSi/c1-9(12)8-10(2)13-14(6,7)11(3,4)5/h9-10H,8H2,1-7H3.
What are the key properties of tert-butyl-(4-iodopentan-2-yloxy)-dimethylsilane?
tert-butyl-(4-iodopentan-2-yloxy)-dimethylsilane has a molecular weight of 328.31 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4-iodopentan-2-yloxy)-dimethylsilane is sourced from PubChem (CID 19904709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).