(2R)-4-iodo-2-methylbutan-1-ol

C5H11IO — CID 139766898

IUPAC(2R)-4-iodo-2-methylbutan-1-ol
SMILESC[C@@H](CO)CCI
InChIInChI=1S/C5H11IO/c1-5(4-7)2-3-6/h5,7H,2-4H2,1H3/t5-/m1/s1
InChIKeyGGHZLFDXDVBHND-RXMQYKEDSA-N
MW214.05 g/mol
LogP1.44
Rot. Bonds3

About (2R)-4-iodo-2-methylbutan-1-ol

(2R)-4-iodo-2-methylbutan-1-ol (PubChem CID 139766898) has the molecular formula C5H11IO and a molecular weight of 214.05 g/mol. Its IUPAC name is (2R)-4-iodo-2-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-4-iodo-2-methylbutan-1-ol
PubChem CID139766898
Molecular FormulaC5H11IO
Molecular Weight214.05 g/mol
Exact Mass213.99
IUPAC Name(2R)-4-iodo-2-methylbutan-1-ol
SMILESC[C@@H](CO)CCI
InChIInChI=1S/C5H11IO/c1-5(4-7)2-3-6/h5,7H,2-4H2,1H3/t5-/m1/s1
InChIKeyGGHZLFDXDVBHND-RXMQYKEDSA-N
XLogP1.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.05
LogP ≤ 51.44
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

2,6-dimethylheptane-1,7-diol
CID 12653721
(2R,6R)-2,6-dimethylheptane-1,7-diol
CID 10534981
2,7-dimethyloctane-1,8-diol
CID 11008425
6-iodo-4-methylhexan-1-ol
CID 139625699
CID 172712223
CID 172712223
6-iodo-2-methylheptan-1-ol
CID 167560507
carbanide;2-methylbutane-1,4-diol;titanium(2+)
CID 134981469
ethane;2-methylpropane-1,3-diol
CID 87127502
(2R)-4-iodobutan-2-ol
CID 13089080
6-bromo-2,5-dimethylhexan-1-ol
CID 21319862
azane;2-methylpentan-1-ol;dihydrochloride
CID 174415462
2-methylhexan-1-ol
CID 159157237

Frequently Asked Questions

What is the IUPAC name of (2R)-4-iodo-2-methylbutan-1-ol?
The IUPAC name of (2R)-4-iodo-2-methylbutan-1-ol (CID 139766898) is (2R)-4-iodo-2-methylbutan-1-ol.
What is the SMILES notation for (2R)-4-iodo-2-methylbutan-1-ol?
The canonical SMILES for (2R)-4-iodo-2-methylbutan-1-ol is C[C@@H](CO)CCI.
What is the InChIKey of (2R)-4-iodo-2-methylbutan-1-ol?
The InChIKey is GGHZLFDXDVBHND-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H11IO/c1-5(4-7)2-3-6/h5,7H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (2R)-4-iodo-2-methylbutan-1-ol?
(2R)-4-iodo-2-methylbutan-1-ol has a molecular weight of 214.05 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-iodo-2-methylbutan-1-ol is sourced from PubChem (CID 139766898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).