(3R)-4-iodo-2,3-dimethylbutan-2-ol

C6H13IO — CID 6326290

IUPAC(3R)-4-iodo-2,3-dimethylbutan-2-ol
SMILESC[C@@H](CI)C(C)(C)O
InChIInChI=1S/C6H13IO/c1-5(4-7)6(2,3)8/h5,8H,4H2,1-3H3/t5-/m0/s1
InChIKeyKGWAMKPJSPENNR-YFKPBYRVSA-N
MW228.07 g/mol
LogP1.83
Rot. Bonds2

About (3R)-4-iodo-2,3-dimethylbutan-2-ol

(3R)-4-iodo-2,3-dimethylbutan-2-ol (PubChem CID 6326290) has the molecular formula C6H13IO and a molecular weight of 228.07 g/mol. Its IUPAC name is (3R)-4-iodo-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name(3R)-4-iodo-2,3-dimethylbutan-2-ol
PubChem CID6326290
Molecular FormulaC6H13IO
Molecular Weight228.07 g/mol
Exact Mass228.00
IUPAC Name(3R)-4-iodo-2,3-dimethylbutan-2-ol
SMILESC[C@@H](CI)C(C)(C)O
InChIInChI=1S/C6H13IO/c1-5(4-7)6(2,3)8/h5,8H,4H2,1-3H3/t5-/m0/s1
InChIKeyKGWAMKPJSPENNR-YFKPBYRVSA-N
XLogP1.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.07
LogP ≤ 51.83
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 (3R)-4-iodo-2,3-dimethylbutan-2-ol?
The IUPAC name of (3R)-4-iodo-2,3-dimethylbutan-2-ol (CID 6326290) is (3R)-4-iodo-2,3-dimethylbutan-2-ol.
What is the SMILES notation for (3R)-4-iodo-2,3-dimethylbutan-2-ol?
The canonical SMILES for (3R)-4-iodo-2,3-dimethylbutan-2-ol is C[C@@H](CI)C(C)(C)O.
What is the InChIKey of (3R)-4-iodo-2,3-dimethylbutan-2-ol?
The InChIKey is KGWAMKPJSPENNR-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13IO/c1-5(4-7)6(2,3)8/h5,8H,4H2,1-3H3/t5-/m0/s1.
What are the key properties of (3R)-4-iodo-2,3-dimethylbutan-2-ol?
(3R)-4-iodo-2,3-dimethylbutan-2-ol has a molecular weight of 228.07 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-iodo-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 6326290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).