4-(iodomethyl)cyclohexan-1-ol

C7H13IO — CID 89029338

IUPAC4-(iodomethyl)cyclohexan-1-ol
SMILESOC1CCC(CI)CC1
InChIInChI=1S/C7H13IO/c8-5-6-1-3-7(9)4-2-6/h6-7,9H,1-5H2
InChIKeyCRSUMXHSKKXXFQ-UHFFFAOYSA-N
MW240.08 g/mol
LogP1.97
Rot. Bonds1

About 4-(iodomethyl)cyclohexan-1-ol

4-(iodomethyl)cyclohexan-1-ol (PubChem CID 89029338) has the molecular formula C7H13IO and a molecular weight of 240.08 g/mol. Its IUPAC name is 4-(iodomethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(iodomethyl)cyclohexan-1-ol
PubChem CID89029338
Molecular FormulaC7H13IO
Molecular Weight240.08 g/mol
Exact Mass240.00
IUPAC Name4-(iodomethyl)cyclohexan-1-ol
SMILESOC1CCC(CI)CC1
InChIInChI=1S/C7H13IO/c8-5-6-1-3-7(9)4-2-6/h6-7,9H,1-5H2
InChIKeyCRSUMXHSKKXXFQ-UHFFFAOYSA-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 4-(iodomethyl)cyclohexan-1-ol?
The IUPAC name of 4-(iodomethyl)cyclohexan-1-ol (CID 89029338) is 4-(iodomethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(iodomethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(iodomethyl)cyclohexan-1-ol is OC1CCC(CI)CC1.
What is the InChIKey of 4-(iodomethyl)cyclohexan-1-ol?
The InChIKey is CRSUMXHSKKXXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13IO/c8-5-6-1-3-7(9)4-2-6/h6-7,9H,1-5H2.
What are the key properties of 4-(iodomethyl)cyclohexan-1-ol?
4-(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 4-(iodomethyl)cyclohexan-1-ol is sourced from PubChem (CID 89029338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).