2-iodoheptan-4-ol

C7H15IO — CID 18920941

IUPAC2-iodoheptan-4-ol
SMILESCCCC(O)CC(C)I
InChIInChI=1S/C7H15IO/c1-3-4-7(9)5-6(2)8/h6-7,9H,3-5H2,1-2H3
InChIKeyLUDRIKVOKGWYLA-UHFFFAOYSA-N
MW242.10 g/mol
LogP2.36
Rot. Bonds4

About 2-iodoheptan-4-ol

2-iodoheptan-4-ol (PubChem CID 18920941) has the molecular formula C7H15IO and a molecular weight of 242.10 g/mol. Its IUPAC name is 2-iodoheptan-4-ol.

Molecular Properties

Compound Name2-iodoheptan-4-ol
PubChem CID18920941
Molecular FormulaC7H15IO
Molecular Weight242.10 g/mol
Exact Mass242.02
IUPAC Name2-iodoheptan-4-ol
SMILESCCCC(O)CC(C)I
InChIInChI=1S/C7H15IO/c1-3-4-7(9)5-6(2)8/h6-7,9H,3-5H2,1-2H3
InChIKeyLUDRIKVOKGWYLA-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 52.36
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

heptane-2,4-diol
CID 161420509
nonane-2,4,6-triol
CID 87069137
octane-3,5-diol;scandium
CID 164810284
(2R,4S,6S)-2,4-dimethylnonane-1,6-diol
CID 129322484
decane-4,6-diol;scandium
CID 164810305
4-iodopentan-2-ol
CID 119096018
hexan-3-ol
CID 12178
(2R,4S,6R)-2-iodo-6,10-dimethylundecan-4-ol
CID 102474928
(2R,4R,6R)-2-iodo-6,10-dimethylundecan-4-ol
CID 102474927
(4R,8R)-undecane-4,8-diol
CID 101372142
hexan-3-ol;λ2-plumbane
CID 174675580
(5R,7S)-decane-1,5,7-triol
CID 15527708

Frequently Asked Questions

What is the IUPAC name of 2-iodoheptan-4-ol?
The IUPAC name of 2-iodoheptan-4-ol (CID 18920941) is 2-iodoheptan-4-ol.
What is the SMILES notation for 2-iodoheptan-4-ol?
The canonical SMILES for 2-iodoheptan-4-ol is CCCC(O)CC(C)I.
What is the InChIKey of 2-iodoheptan-4-ol?
The InChIKey is LUDRIKVOKGWYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15IO/c1-3-4-7(9)5-6(2)8/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 2-iodoheptan-4-ol?
2-iodoheptan-4-ol has a molecular weight of 242.10 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodoheptan-4-ol is sourced from PubChem (CID 18920941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).