5-iodohexan-1-ol

C6H13IO — CID 18921038

IUPAC5-iodohexan-1-ol
SMILESCC(I)CCCCO
InChIInChI=1S/C6H13IO/c1-6(7)4-2-3-5-8/h6,8H,2-5H2,1H3
InChIKeyQZZQNBKJOGXVDD-UHFFFAOYSA-N
MW228.07 g/mol
LogP1.97
Rot. Bonds4

About 5-iodohexan-1-ol

5-iodohexan-1-ol (PubChem CID 18921038) has the molecular formula C6H13IO and a molecular weight of 228.07 g/mol. Its IUPAC name is 5-iodohexan-1-ol.

Molecular Properties

Compound Name5-iodohexan-1-ol
PubChem CID18921038
Molecular FormulaC6H13IO
Molecular Weight228.07 g/mol
Exact Mass228.00
IUPAC Name5-iodohexan-1-ol
SMILESCC(I)CCCCO
InChIInChI=1S/C6H13IO/c1-6(7)4-2-3-5-8/h6,8H,2-5H2,1H3
InChIKeyQZZQNBKJOGXVDD-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.07
LogP ≤ 51.97
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'}

Analyze 5-iodohexan-1-ol 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

(5S)-5-iodohexan-1-ol
CID 139766894
6-iodo-2-methylheptan-1-ol
CID 167560507
2-iodohexane-1,6-diol
CID 87525270
hexane-1,5-diol;propane-1,3-diol
CID 139532508
alumane;6-methylheptan-1-ol
CID 174615736
1,8-diiodononane
CID 168864675
(10S)-undecane-1,10-diol
CID 129382222
8,12-dimethylicosane-1,20-diol
CID 170848864
henicosane-1,20-diol
CID 86247204
hexadecane-1,15-diol
CID 53400630
16-methylheptadecan-1-ol;titanium
CID 151630620
CID 172760633
CID 172760633

Frequently Asked Questions

What is the IUPAC name of 5-iodohexan-1-ol?
The IUPAC name of 5-iodohexan-1-ol (CID 18921038) is 5-iodohexan-1-ol.
What is the SMILES notation for 5-iodohexan-1-ol?
The canonical SMILES for 5-iodohexan-1-ol is CC(I)CCCCO.
What is the InChIKey of 5-iodohexan-1-ol?
The InChIKey is QZZQNBKJOGXVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13IO/c1-6(7)4-2-3-5-8/h6,8H,2-5H2,1H3.
What are the key properties of 5-iodohexan-1-ol?
5-iodohexan-1-ol has a molecular weight of 228.07 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodohexan-1-ol is sourced from PubChem (CID 18921038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).