3-iodo-2-methylbutan-2-ol

C5H11IO — CID 89117655

IUPAC3-iodo-2-methylbutan-2-ol
SMILESCC(I)C(C)(C)O
InChIInChI=1S/C5H11IO/c1-4(6)5(2,3)7/h4,7H,1-3H3
InChIKeyFMYXWJPIZFYEHX-UHFFFAOYSA-N
MW214.05 g/mol
LogP1.58
Rot. Bonds1

About 3-iodo-2-methylbutan-2-ol

3-iodo-2-methylbutan-2-ol (PubChem CID 89117655) has the molecular formula C5H11IO and a molecular weight of 214.05 g/mol. Its IUPAC name is 3-iodo-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-iodo-2-methylbutan-2-ol
PubChem CID89117655
Molecular FormulaC5H11IO
Molecular Weight214.05 g/mol
Exact Mass213.99
IUPAC Name3-iodo-2-methylbutan-2-ol
SMILESCC(I)C(C)(C)O
InChIInChI=1S/C5H11IO/c1-4(6)5(2,3)7/h4,7H,1-3H3
InChIKeyFMYXWJPIZFYEHX-UHFFFAOYSA-N
XLogP1.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.05
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-methylbutan-2-ol?
The IUPAC name of 3-iodo-2-methylbutan-2-ol (CID 89117655) is 3-iodo-2-methylbutan-2-ol.
What is the SMILES notation for 3-iodo-2-methylbutan-2-ol?
The canonical SMILES for 3-iodo-2-methylbutan-2-ol is CC(I)C(C)(C)O.
What is the InChIKey of 3-iodo-2-methylbutan-2-ol?
The InChIKey is FMYXWJPIZFYEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11IO/c1-4(6)5(2,3)7/h4,7H,1-3H3.
What are the key properties of 3-iodo-2-methylbutan-2-ol?
3-iodo-2-methylbutan-2-ol has a molecular weight of 214.05 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-methylbutan-2-ol is sourced from PubChem (CID 89117655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).