5-iodocyclohex-2-en-1-ol

C6H9IO — CID 146915953

IUPAC5-iodocyclohex-2-en-1-ol
SMILESOC1C=CCC(I)C1
InChIInChI=1S/C6H9IO/c7-5-2-1-3-6(8)4-5/h1,3,5-6,8H,2,4H2
InChIKeyACFNZXNHBQTEJK-UHFFFAOYSA-N
MW224.04 g/mol
LogP1.50
Rot. Bonds

About 5-iodocyclohex-2-en-1-ol

5-iodocyclohex-2-en-1-ol (PubChem CID 146915953) has the molecular formula C6H9IO and a molecular weight of 224.04 g/mol. Its IUPAC name is 5-iodocyclohex-2-en-1-ol.

Molecular Properties

Compound Name5-iodocyclohex-2-en-1-ol
PubChem CID146915953
Molecular FormulaC6H9IO
Molecular Weight224.04 g/mol
Exact Mass223.97
IUPAC Name5-iodocyclohex-2-en-1-ol
SMILESOC1C=CCC(I)C1
InChIInChI=1S/C6H9IO/c7-5-2-1-3-6(8)4-5/h1,3,5-6,8H,2,4H2
InChIKeyACFNZXNHBQTEJK-UHFFFAOYSA-N
XLogP1.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.04
LogP ≤ 51.50
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodocyclohex-2-en-1-ol?
The IUPAC name of 5-iodocyclohex-2-en-1-ol (CID 146915953) is 5-iodocyclohex-2-en-1-ol.
What is the SMILES notation for 5-iodocyclohex-2-en-1-ol?
The canonical SMILES for 5-iodocyclohex-2-en-1-ol is OC1C=CCC(I)C1.
What is the InChIKey of 5-iodocyclohex-2-en-1-ol?
The InChIKey is ACFNZXNHBQTEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IO/c7-5-2-1-3-6(8)4-5/h1,3,5-6,8H,2,4H2.
What are the key properties of 5-iodocyclohex-2-en-1-ol?
5-iodocyclohex-2-en-1-ol has a molecular weight of 224.04 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodocyclohex-2-en-1-ol is sourced from PubChem (CID 146915953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).