6-iodohexan-1-ol

C6H13IO — CID 13089081

IUPAC6-iodohexan-1-ol
SMILESOCCCCCCI
InChIInChI=1S/C6H13IO/c7-5-3-1-2-4-6-8/h8H,1-6H2
InChIKeyZHPLCGQZGMTUID-UHFFFAOYSA-N
MW228.07 g/mol
LogP1.97
Rot. Bonds5

About 6-iodohexan-1-ol

6-iodohexan-1-ol (PubChem CID 13089081) has the molecular formula C6H13IO and a molecular weight of 228.07 g/mol. Its IUPAC name is 6-iodohexan-1-ol.

Molecular Properties

Compound Name6-iodohexan-1-ol
PubChem CID13089081
Molecular FormulaC6H13IO
Molecular Weight228.07 g/mol
Exact Mass228.00
IUPAC Name6-iodohexan-1-ol
SMILESOCCCCCCI
InChIInChI=1S/C6H13IO/c7-5-3-1-2-4-6-8/h8H,1-6H2
InChIKeyZHPLCGQZGMTUID-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-iodohexan-1-ol?
The IUPAC name of 6-iodohexan-1-ol (CID 13089081) is 6-iodohexan-1-ol.
What is the SMILES notation for 6-iodohexan-1-ol?
The canonical SMILES for 6-iodohexan-1-ol is OCCCCCCI.
What is the InChIKey of 6-iodohexan-1-ol?
The InChIKey is ZHPLCGQZGMTUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13IO/c7-5-3-1-2-4-6-8/h8H,1-6H2.
What are the key properties of 6-iodohexan-1-ol?
6-iodohexan-1-ol has a molecular weight of 228.07 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodohexan-1-ol is sourced from PubChem (CID 13089081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).