1-Iodohexan-2-ol

C6H13IO — CID 10868036

IUPAC1-iodohexan-2-ol
SMILESCCCCC(CI)O
InChIInChI=1S/C6H13IO/c1-2-3-4-6(8)5-7/h6,8H,2-5H2,1H3
InChIKeySGIKBHPMPRZXCQ-UHFFFAOYSA-N
MW228.07 g/mol
LogP2.50
Rot. Bonds4

About 1-Iodohexan-2-ol

1-Iodohexan-2-ol (PubChem CID 10868036) has the molecular formula C6H13IO and a molecular weight of 228.07 g/mol. Its IUPAC name is 1-iodohexan-2-ol.

Molecular Properties

Compound Name1-Iodohexan-2-ol
PubChem CID10868036
Molecular FormulaC6H13IO
Molecular Weight228.07 g/mol
Exact Mass228.00
IUPAC Name1-iodohexan-2-ol
SMILESCCCCC(CI)O
InChIInChI=1S/C6H13IO/c1-2-3-4-6(8)5-7/h6,8H,2-5H2,1H3
InChIKeySGIKBHPMPRZXCQ-UHFFFAOYSA-N
XLogP2.50
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity47

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.07
LogP ≤ 52.50
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

2-Hexanol
CID 12297
3-Hexanol
CID 12178
(2S)-hexan-2-ol
CID 638097
2-Hexanol, (R)-
CID 6993810
(3S)-hexan-3-ol
CID 638098
(3R)-hexan-3-ol
CID 6994293
1-Iodobutan-2-ol
CID 23332370
2-Iodocyclohexan-1-ol
CID 182639
Cyclohexanol, 2-iodo-, (1R,2R)-
CID 10889589
6-Iodo-1-hexanol
CID 13089081
2-Iodohexan-1-ol
CID 10933219
trans-(1S,2S)-2-iodocyclohexan-1-ol
CID 11096287

Frequently Asked Questions

What is the IUPAC name of 1-Iodohexan-2-ol?
The IUPAC name of 1-Iodohexan-2-ol (CID 10868036) is 1-iodohexan-2-ol.
What is the SMILES notation for 1-Iodohexan-2-ol?
The canonical SMILES for 1-Iodohexan-2-ol is CCCCC(CI)O.
What is the InChIKey of 1-Iodohexan-2-ol?
The InChIKey is SGIKBHPMPRZXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13IO/c1-2-3-4-6(8)5-7/h6,8H,2-5H2,1H3.
What are the key properties of 1-Iodohexan-2-ol?
1-Iodohexan-2-ol has a molecular weight of 228.07 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Iodohexan-2-ol is sourced from PubChem (CID 10868036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).