5,6-diiodohexan-1-ol

C6H12I2O — CID 18920916

IUPAC5,6-diiodohexan-1-ol
SMILESOCCCCC(I)CI
InChIInChI=1S/C6H12I2O/c7-5-6(8)3-1-2-4-9/h6,9H,1-5H2
InChIKeyQACTUAZUMZOKGJ-UHFFFAOYSA-N
MW353.97 g/mol
LogP2.39
Rot. Bonds5

About 5,6-diiodohexan-1-ol

5,6-diiodohexan-1-ol (PubChem CID 18920916) has the molecular formula C6H12I2O and a molecular weight of 353.97 g/mol. Its IUPAC name is 5,6-diiodohexan-1-ol.

Molecular Properties

Compound Name5,6-diiodohexan-1-ol
PubChem CID18920916
Molecular FormulaC6H12I2O
Molecular Weight353.97 g/mol
Exact Mass353.90
IUPAC Name5,6-diiodohexan-1-ol
SMILESOCCCCC(I)CI
InChIInChI=1S/C6H12I2O/c7-5-6(8)3-1-2-4-9/h6,9H,1-5H2
InChIKeyQACTUAZUMZOKGJ-UHFFFAOYSA-N
XLogP2.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.97
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

2-iodohexane-1,6-diol
CID 87525270
1,2,11-triiodoundecane
CID 19808234
5-iodohexan-1-ol
CID 18921038
(5S)-5-iodohexan-1-ol
CID 139766894
(2R)-1,2-diiodohexane
CID 118680674
5-(2,3-diiodopropoxy)pentan-1-ol
CID 135038659
2,3-diiodopropan-1-ol
CID 23319843
9,9,10,10,11,11,11-heptafluoro-7-iodoundecan-1-ol
CID 152550034
(5R)-9-iodo-5-methylnonan-1-ol
CID 139766803
6,6,6-trifluoro-4-iodohexan-1-ol
CID 14364468
(Z)-1,2-diiodooctadec-9-ene
CID 175474976
hexacosane-1,8,19,26-tetrol
CID 167004997

Frequently Asked Questions

What is the IUPAC name of 5,6-diiodohexan-1-ol?
The IUPAC name of 5,6-diiodohexan-1-ol (CID 18920916) is 5,6-diiodohexan-1-ol.
What is the SMILES notation for 5,6-diiodohexan-1-ol?
The canonical SMILES for 5,6-diiodohexan-1-ol is OCCCCC(I)CI.
What is the InChIKey of 5,6-diiodohexan-1-ol?
The InChIKey is QACTUAZUMZOKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12I2O/c7-5-6(8)3-1-2-4-9/h6,9H,1-5H2.
What are the key properties of 5,6-diiodohexan-1-ol?
5,6-diiodohexan-1-ol has a molecular weight of 353.97 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diiodohexan-1-ol is sourced from PubChem (CID 18920916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).