4-(iodomethyl)oxan-4-ol

C6H11IO2 — CID 66961892

IUPAC4-(iodomethyl)oxan-4-ol
SMILESOC1(CI)CCOCC1
InChIInChI=1S/C6H11IO2/c7-5-6(8)1-3-9-4-2-6/h8H,1-5H2
InChIKeyDSUQCOWOZPKGRP-UHFFFAOYSA-N
MW242.06 g/mol
LogP0.96
Rot. Bonds1

About 4-(iodomethyl)oxan-4-ol

4-(iodomethyl)oxan-4-ol (PubChem CID 66961892) has the molecular formula C6H11IO2 and a molecular weight of 242.06 g/mol. Its IUPAC name is 4-(iodomethyl)oxan-4-ol.

Molecular Properties

Compound Name4-(iodomethyl)oxan-4-ol
PubChem CID66961892
Molecular FormulaC6H11IO2
Molecular Weight242.06 g/mol
Exact Mass241.98
IUPAC Name4-(iodomethyl)oxan-4-ol
SMILESOC1(CI)CCOCC1
InChIInChI=1S/C6H11IO2/c7-5-6(8)1-3-9-4-2-6/h8H,1-5H2
InChIKeyDSUQCOWOZPKGRP-UHFFFAOYSA-N
XLogP0.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)oxan-4-ol?
The IUPAC name of 4-(iodomethyl)oxan-4-ol (CID 66961892) is 4-(iodomethyl)oxan-4-ol.
What is the SMILES notation for 4-(iodomethyl)oxan-4-ol?
The canonical SMILES for 4-(iodomethyl)oxan-4-ol is OC1(CI)CCOCC1.
What is the InChIKey of 4-(iodomethyl)oxan-4-ol?
The InChIKey is DSUQCOWOZPKGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11IO2/c7-5-6(8)1-3-9-4-2-6/h8H,1-5H2.
What are the key properties of 4-(iodomethyl)oxan-4-ol?
4-(iodomethyl)oxan-4-ol has a molecular weight of 242.06 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iodomethyl)oxan-4-ol is sourced from PubChem (CID 66961892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).