5-iodo-2-methylcyclohexan-1-ol

C7H13IO — CID 58861730

IUPAC5-iodo-2-methylcyclohexan-1-ol
SMILESCC1CCC(I)CC1O
InChIInChI=1S/C7H13IO/c1-5-2-3-6(8)4-7(5)9/h5-7,9H,2-4H2,1H3
InChIKeyBHAWMFRJRGZEPO-UHFFFAOYSA-N
MW240.08 g/mol
LogP1.97
Rot. Bonds

About 5-iodo-2-methylcyclohexan-1-ol

5-iodo-2-methylcyclohexan-1-ol (PubChem CID 58861730) has the molecular formula C7H13IO and a molecular weight of 240.08 g/mol. Its IUPAC name is 5-iodo-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name5-iodo-2-methylcyclohexan-1-ol
PubChem CID58861730
Molecular FormulaC7H13IO
Molecular Weight240.08 g/mol
Exact Mass240.00
IUPAC Name5-iodo-2-methylcyclohexan-1-ol
SMILESCC1CCC(I)CC1O
InChIInChI=1S/C7H13IO/c1-5-2-3-6(8)4-7(5)9/h5-7,9H,2-4H2,1H3
InChIKeyBHAWMFRJRGZEPO-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.08
LogP ≤ 51.97
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 5-iodo-2-methylcyclohexan-1-ol?
The IUPAC name of 5-iodo-2-methylcyclohexan-1-ol (CID 58861730) is 5-iodo-2-methylcyclohexan-1-ol.
What is the SMILES notation for 5-iodo-2-methylcyclohexan-1-ol?
The canonical SMILES for 5-iodo-2-methylcyclohexan-1-ol is CC1CCC(I)CC1O.
What is the InChIKey of 5-iodo-2-methylcyclohexan-1-ol?
The InChIKey is BHAWMFRJRGZEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13IO/c1-5-2-3-6(8)4-7(5)9/h5-7,9H,2-4H2,1H3.
What are the key properties of 5-iodo-2-methylcyclohexan-1-ol?
5-iodo-2-methylcyclohexan-1-ol has a molecular weight of 240.08 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-methylcyclohexan-1-ol is sourced from PubChem (CID 58861730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).