2-iodohexane-1,6-diol

C6H13IO2 — CID 87525270

IUPAC2-iodohexane-1,6-diol
SMILESOCCCCC(I)CO
InChIInChI=1S/C6H13IO2/c7-6(5-9)3-1-2-4-8/h6,8-9H,1-5H2
InChIKeyJVNZMTYISHPXDG-UHFFFAOYSA-N
MW244.07 g/mol
LogP0.94
Rot. Bonds5

About 2-iodohexane-1,6-diol

2-iodohexane-1,6-diol (PubChem CID 87525270) has the molecular formula C6H13IO2 and a molecular weight of 244.07 g/mol. Its IUPAC name is 2-iodohexane-1,6-diol.

Molecular Properties

Compound Name2-iodohexane-1,6-diol
PubChem CID87525270
Molecular FormulaC6H13IO2
Molecular Weight244.07 g/mol
Exact Mass244.00
IUPAC Name2-iodohexane-1,6-diol
SMILESOCCCCC(I)CO
InChIInChI=1S/C6H13IO2/c7-6(5-9)3-1-2-4-8/h6,8-9H,1-5H2
InChIKeyJVNZMTYISHPXDG-UHFFFAOYSA-N
XLogP0.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.07
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-iodohexane-1,6-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-diiodohexan-1-ol
CID 18920916
5-iodohexan-1-ol
CID 18921038
(5S)-5-iodohexan-1-ol
CID 139766894
2-(hydroxymethyl)nonadecane-1,19-diol
CID 18361656
9,9,10,10,11,11,11-heptafluoro-7-iodoundecan-1-ol
CID 152550034
6,6,6-trifluoro-4-iodohexan-1-ol
CID 14364468
19-hydroxy-2-(hydroxymethyl)nonadecanoic acid
CID 89413827
nonane-1,2,3,9-tetrol
CID 87488161
heptacosane-1,10,27-triol
CID 56980866
5-chlorononane-1,9-diol
CID 87402424
hexacosane-1,8,19,26-tetrol
CID 167004997
5,5-bis(sulfanyl)pentan-1-ol
CID 57005113

Frequently Asked Questions

What is the IUPAC name of 2-iodohexane-1,6-diol?
The IUPAC name of 2-iodohexane-1,6-diol (CID 87525270) is 2-iodohexane-1,6-diol.
What is the SMILES notation for 2-iodohexane-1,6-diol?
The canonical SMILES for 2-iodohexane-1,6-diol is OCCCCC(I)CO.
What is the InChIKey of 2-iodohexane-1,6-diol?
The InChIKey is JVNZMTYISHPXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13IO2/c7-6(5-9)3-1-2-4-8/h6,8-9H,1-5H2.
What are the key properties of 2-iodohexane-1,6-diol?
2-iodohexane-1,6-diol has a molecular weight of 244.07 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodohexane-1,6-diol is sourced from PubChem (CID 87525270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).