(2S)-2-iodobutan-2-ol

C4H9IO — CID 126611697

IUPAC(2S)-2-iodobutan-2-ol
SMILESCC[C@@](C)(O)I
InChIInChI=1S/C4H9IO/c1-3-4(2,5)6/h6H,3H2,1-2H3/t4-/m1/s1
InChIKeyUSCXGCFJPVPAQB-SCSAIBSYSA-N
MW200.02 g/mol
LogP1.54
Rot. Bonds1

About (2S)-2-iodobutan-2-ol

(2S)-2-iodobutan-2-ol (PubChem CID 126611697) has the molecular formula C4H9IO and a molecular weight of 200.02 g/mol. Its IUPAC name is (2S)-2-iodobutan-2-ol.

Molecular Properties

Compound Name(2S)-2-iodobutan-2-ol
PubChem CID126611697
Molecular FormulaC4H9IO
Molecular Weight200.02 g/mol
Exact Mass199.97
IUPAC Name(2S)-2-iodobutan-2-ol
SMILESCC[C@@](C)(O)I
InChIInChI=1S/C4H9IO/c1-3-4(2,5)6/h6H,3H2,1-2H3/t4-/m1/s1
InChIKeyUSCXGCFJPVPAQB-SCSAIBSYSA-N
XLogP1.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.02
LogP ≤ 51.54
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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Related Compounds

1,1-diiodopropan-1-ol
CID 54306694
tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;2-iodobutan-2-ol
CID 174377351
1-chloro-1-iodopropan-1-ol
CID 23322646
2-arsanylbutan-2-ol
CID 173005032
methanamine;2-methylbutan-2-ol
CID 142079467
sodium;hydride;bis(2-methylbutan-2-ol)
CID 174951100
azane;3-methylpentan-3-ol
CID 87107560
hafnium;3-methylpentan-3-ol
CID 154175223
3-ethyl-2,3-dimethylpentan-2-ol
CID 53428948
3-ethyl-3-(2-hydroxypropan-2-yl)-2,4-dimethylpentane-2,4-diol
CID 87908652
(3R)-2,3-dimethylpentane-2,3-diol
CID 118219388
2-aminobutan-2-ol;propane
CID 174346487

Frequently Asked Questions

What is the IUPAC name of (2S)-2-iodobutan-2-ol?
The IUPAC name of (2S)-2-iodobutan-2-ol (CID 126611697) is (2S)-2-iodobutan-2-ol.
What is the SMILES notation for (2S)-2-iodobutan-2-ol?
The canonical SMILES for (2S)-2-iodobutan-2-ol is CC[C@@](C)(O)I.
What is the InChIKey of (2S)-2-iodobutan-2-ol?
The InChIKey is USCXGCFJPVPAQB-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H9IO/c1-3-4(2,5)6/h6H,3H2,1-2H3/t4-/m1/s1.
What are the key properties of (2S)-2-iodobutan-2-ol?
(2S)-2-iodobutan-2-ol has a molecular weight of 200.02 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-iodobutan-2-ol is sourced from PubChem (CID 126611697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).