4-iodopentan-2-ol

C5H11IO — CID 119096018

IUPAC4-iodopentan-2-ol
SMILESCC(O)CC(C)I
InChIInChI=1S/C5H11IO/c1-4(6)3-5(2)7/h4-5,7H,3H2,1-2H3
InChIKeyNREJSKNTYBUMQY-UHFFFAOYSA-N
MW214.05 g/mol
LogP1.58
Rot. Bonds2

About 4-iodopentan-2-ol

4-iodopentan-2-ol (PubChem CID 119096018) has the molecular formula C5H11IO and a molecular weight of 214.05 g/mol. Its IUPAC name is 4-iodopentan-2-ol.

Molecular Properties

Compound Name4-iodopentan-2-ol
PubChem CID119096018
Molecular FormulaC5H11IO
Molecular Weight214.05 g/mol
Exact Mass213.99
IUPAC Name4-iodopentan-2-ol
SMILESCC(O)CC(C)I
InChIInChI=1S/C5H11IO/c1-4(6)3-5(2)7/h4-5,7H,3H2,1-2H3
InChIKeyNREJSKNTYBUMQY-UHFFFAOYSA-N
XLogP1.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Related Compounds

tris(pentane-2,4-diol);ruthenium
CID 5231187
europium;tetrakis(pentane-2,4-diol)
CID 59946569
copper bis(pentane-2,4-diol)
CID 135036707
palladium;bis(pentane-2,4-diol)
CID 58773675
iron(2+);bis(pentane-2,4-diol)
CID 161218003
carbanide;bis(pentane-2,4-diol);titanium(2+)
CID 58114426
CID 6395570
CID 6395570
lanthanum;tris(pentane-2,4-diol);dihydrate
CID 5245936
2-iodoheptan-4-ol
CID 18920941
oxotitanium;bis(pentane-2,4-diol)
CID 166004724
4-methylpentan-2-ol;titanium
CID 158071265
4-methylpentan-2-ol;zinc
CID 158419154

Frequently Asked Questions

What is the IUPAC name of 4-iodopentan-2-ol?
The IUPAC name of 4-iodopentan-2-ol (CID 119096018) is 4-iodopentan-2-ol.
What is the SMILES notation for 4-iodopentan-2-ol?
The canonical SMILES for 4-iodopentan-2-ol is CC(O)CC(C)I.
What is the InChIKey of 4-iodopentan-2-ol?
The InChIKey is NREJSKNTYBUMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11IO/c1-4(6)3-5(2)7/h4-5,7H,3H2,1-2H3.
What are the key properties of 4-iodopentan-2-ol?
4-iodopentan-2-ol has a molecular weight of 214.05 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodopentan-2-ol is sourced from PubChem (CID 119096018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).