4-iodocyclohexan-1-ol

C6H11IO — CID 22133003

IUPAC4-iodocyclohexan-1-ol
SMILESOC1CCC(I)CC1
InChIInChI=1S/C6H11IO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4H2
InChIKeyRTOQMEPDSYPXOE-UHFFFAOYSA-N
MW226.06 g/mol
LogP1.72
Rot. Bonds

About 4-iodocyclohexan-1-ol

4-iodocyclohexan-1-ol (PubChem CID 22133003) has the molecular formula C6H11IO and a molecular weight of 226.06 g/mol. Its IUPAC name is 4-iodocyclohexan-1-ol.

Molecular Properties

Compound Name4-iodocyclohexan-1-ol
PubChem CID22133003
Molecular FormulaC6H11IO
Molecular Weight226.06 g/mol
Exact Mass225.99
IUPAC Name4-iodocyclohexan-1-ol
SMILESOC1CCC(I)CC1
InChIInChI=1S/C6H11IO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4H2
InChIKeyRTOQMEPDSYPXOE-UHFFFAOYSA-N
XLogP1.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.06
LogP ≤ 51.72
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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Frequently Asked Questions

What is the IUPAC name of 4-iodocyclohexan-1-ol?
The IUPAC name of 4-iodocyclohexan-1-ol (CID 22133003) is 4-iodocyclohexan-1-ol.
What is the SMILES notation for 4-iodocyclohexan-1-ol?
The canonical SMILES for 4-iodocyclohexan-1-ol is OC1CCC(I)CC1.
What is the InChIKey of 4-iodocyclohexan-1-ol?
The InChIKey is RTOQMEPDSYPXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11IO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4H2.
What are the key properties of 4-iodocyclohexan-1-ol?
4-iodocyclohexan-1-ol has a molecular weight of 226.06 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodocyclohexan-1-ol is sourced from PubChem (CID 22133003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).