cis-(1R,2R)-2-(iodomethyl)cyclohexan-1-ol

C7H13IO — CID 14959804

IUPACcis-(1R,2R)-2-(iodomethyl)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1CI
InChIInChI=1S/C7H13IO/c8-5-6-3-1-2-4-7(6)9/h6-7,9H,1-5H2/t6-,7+/m0/s1
InChIKeyBOUDTEYAGBITKT-NKWVEPMBSA-N
MW240.08 g/mol
LogP1.97
Rot. Bonds1

About cis-(1R,2R)-2-(iodomethyl)cyclohexan-1-ol

cis-(1R,2R)-2-(iodomethyl)cyclohexan-1-ol (PubChem CID 14959804) has the molecular formula C7H13IO and a molecular weight of 240.08 g/mol. Its IUPAC name is cis-(1R,2R)-2-(iodomethyl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-(iodomethyl)cyclohexan-1-ol
PubChem CID14959804
Molecular FormulaC7H13IO
Molecular Weight240.08 g/mol
Exact Mass240.00
IUPAC Namecis-(1R,2R)-2-(iodomethyl)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1CI
InChIInChI=1S/C7H13IO/c8-5-6-3-1-2-4-7(6)9/h6-7,9H,1-5H2/t6-,7+/m0/s1
InChIKeyBOUDTEYAGBITKT-NKWVEPMBSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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 cis-(1R,2R)-2-(iodomethyl)cyclohexan-1-ol?
The IUPAC name of cis-(1R,2R)-2-(iodomethyl)cyclohexan-1-ol (CID 14959804) is cis-(1R,2R)-2-(iodomethyl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-(iodomethyl)cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-(iodomethyl)cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1CI.
What is the InChIKey of cis-(1R,2R)-2-(iodomethyl)cyclohexan-1-ol?
The InChIKey is BOUDTEYAGBITKT-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H13IO/c8-5-6-3-1-2-4-7(6)9/h6-7,9H,1-5H2/t6-,7+/m0/s1.
What are the key properties of cis-(1R,2R)-2-(iodomethyl)cyclohexan-1-ol?
cis-(1R,2R)-2-(iodomethyl)cyclohexan-1-ol has a molecular weight of 240.08 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(iodomethyl)cyclohexan-1-ol is sourced from PubChem (CID 14959804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).