1-(iodomethyl)-4-methylcyclohexan-1-ol

C8H15IO — CID 114775211

IUPAC1-(iodomethyl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CI)CC1
InChIInChI=1S/C8H15IO/c1-7-2-4-8(10,6-9)5-3-7/h7,10H,2-6H2,1H3
InChIKeyPUBFWLUFZOPBPQ-UHFFFAOYSA-N
MW254.11 g/mol
LogP2.36
Rot. Bonds1

About 1-(iodomethyl)-4-methylcyclohexan-1-ol

1-(iodomethyl)-4-methylcyclohexan-1-ol (PubChem CID 114775211) has the molecular formula C8H15IO and a molecular weight of 254.11 g/mol. Its IUPAC name is 1-(iodomethyl)-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(iodomethyl)-4-methylcyclohexan-1-ol
PubChem CID114775211
Molecular FormulaC8H15IO
Molecular Weight254.11 g/mol
Exact Mass254.02
IUPAC Name1-(iodomethyl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CI)CC1
InChIInChI=1S/C8H15IO/c1-7-2-4-8(10,6-9)5-3-7/h7,10H,2-6H2,1H3
InChIKeyPUBFWLUFZOPBPQ-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.11
LogP ≤ 52.36
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 1-(iodomethyl)-4-methylcyclohexan-1-ol?
The IUPAC name of 1-(iodomethyl)-4-methylcyclohexan-1-ol (CID 114775211) is 1-(iodomethyl)-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-(iodomethyl)-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-(iodomethyl)-4-methylcyclohexan-1-ol is CC1CCC(O)(CI)CC1.
What is the InChIKey of 1-(iodomethyl)-4-methylcyclohexan-1-ol?
The InChIKey is PUBFWLUFZOPBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15IO/c1-7-2-4-8(10,6-9)5-3-7/h7,10H,2-6H2,1H3.
What are the key properties of 1-(iodomethyl)-4-methylcyclohexan-1-ol?
1-(iodomethyl)-4-methylcyclohexan-1-ol has a molecular weight of 254.11 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)-4-methylcyclohexan-1-ol is sourced from PubChem (CID 114775211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).