4-(diiodomethyl)cyclohexan-1-ol

C7H12I2O — CID 89029318

IUPAC4-(diiodomethyl)cyclohexan-1-ol
SMILESOC1CCC(C(I)I)CC1
InChIInChI=1S/C7H12I2O/c8-7(9)5-1-3-6(10)4-2-5/h5-7,10H,1-4H2
InChIKeyCRXASQPVAXKFHL-UHFFFAOYSA-N
MW365.98 g/mol
LogP2.73
Rot. Bonds1

About 4-(diiodomethyl)cyclohexan-1-ol

4-(diiodomethyl)cyclohexan-1-ol (PubChem CID 89029318) has the molecular formula C7H12I2O and a molecular weight of 365.98 g/mol. Its IUPAC name is 4-(diiodomethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(diiodomethyl)cyclohexan-1-ol
PubChem CID89029318
Molecular FormulaC7H12I2O
Molecular Weight365.98 g/mol
Exact Mass365.90
IUPAC Name4-(diiodomethyl)cyclohexan-1-ol
SMILESOC1CCC(C(I)I)CC1
InChIInChI=1S/C7H12I2O/c8-7(9)5-1-3-6(10)4-2-5/h5-7,10H,1-4H2
InChIKeyCRXASQPVAXKFHL-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.98
LogP ≤ 52.73
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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Related Compounds

4-Methylcyclohexanol
CID 11524
(1r,4r)-4-(Iodomethyl)cyclohexan-1-ol
CID 89029338
4-[Difluoro(iodo)methyl]cyclohexan-1-ol
CID 126757509
cis-(1R,2R)-2-(iodomethyl)cyclohexan-1-ol
CID 14959804
1-Cyclohexyl-2-iodoethanol
CID 100970670
CID 57880607
CID 57880607
(4-Iodocyclohexyl)methanol
CID 58192495
5-Iodo-2-methylcyclohexan-1-ol
CID 58861730
4-(Tritiomethyl)cyclohexan-1-ol
CID 60098910
(1S,2R,5R)-5-iodo-2-methylcyclohexan-1-ol
CID 68304848
trans-(1R,2S)-2-(iodomethyl)cyclohexan-1-ol
CID 68383255
trans-(1S,2R)-2-(iodomethyl)cyclohexan-1-ol
CID 68383319

Frequently Asked Questions

What is the IUPAC name of 4-(diiodomethyl)cyclohexan-1-ol?
The IUPAC name of 4-(diiodomethyl)cyclohexan-1-ol (CID 89029318) is 4-(diiodomethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(diiodomethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(diiodomethyl)cyclohexan-1-ol is OC1CCC(C(I)I)CC1.
What is the InChIKey of 4-(diiodomethyl)cyclohexan-1-ol?
The InChIKey is CRXASQPVAXKFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12I2O/c8-7(9)5-1-3-6(10)4-2-5/h5-7,10H,1-4H2.
What are the key properties of 4-(diiodomethyl)cyclohexan-1-ol?
4-(diiodomethyl)cyclohexan-1-ol has a molecular weight of 365.98 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diiodomethyl)cyclohexan-1-ol is sourced from PubChem (CID 89029318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).