3-(iodomethylidene)cyclohexan-1-ol

C7H11IO — CID 68771725

IUPAC3-(iodomethylidene)cyclohexan-1-ol
SMILESOC1CCCC(=CI)C1
InChIInChI=1S/C7H11IO/c8-5-6-2-1-3-7(9)4-6/h5,7,9H,1-4H2
InChIKeyWMJHNXJMZBBNDI-UHFFFAOYSA-N
MW238.07 g/mol
LogP2.24
Rot. Bonds

About 3-(iodomethylidene)cyclohexan-1-ol

3-(iodomethylidene)cyclohexan-1-ol (PubChem CID 68771725) has the molecular formula C7H11IO and a molecular weight of 238.07 g/mol. Its IUPAC name is 3-(iodomethylidene)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(iodomethylidene)cyclohexan-1-ol
PubChem CID68771725
Molecular FormulaC7H11IO
Molecular Weight238.07 g/mol
Exact Mass237.99
IUPAC Name3-(iodomethylidene)cyclohexan-1-ol
SMILESOC1CCCC(=CI)C1
InChIInChI=1S/C7H11IO/c8-5-6-2-1-3-7(9)4-6/h5,7,9H,1-4H2
InChIKeyWMJHNXJMZBBNDI-UHFFFAOYSA-N
XLogP2.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(iodomethylidene)cyclohexan-1-ol?
The IUPAC name of 3-(iodomethylidene)cyclohexan-1-ol (CID 68771725) is 3-(iodomethylidene)cyclohexan-1-ol.
What is the SMILES notation for 3-(iodomethylidene)cyclohexan-1-ol?
The canonical SMILES for 3-(iodomethylidene)cyclohexan-1-ol is OC1CCCC(=CI)C1.
What is the InChIKey of 3-(iodomethylidene)cyclohexan-1-ol?
The InChIKey is WMJHNXJMZBBNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IO/c8-5-6-2-1-3-7(9)4-6/h5,7,9H,1-4H2.
What are the key properties of 3-(iodomethylidene)cyclohexan-1-ol?
3-(iodomethylidene)cyclohexan-1-ol has a molecular weight of 238.07 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(iodomethylidene)cyclohexan-1-ol is sourced from PubChem (CID 68771725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).