3-(iodomethyl)-3,6-dihydro-2H-pyran

C6H9IO — CID 138500374

IUPAC3-(iodomethyl)-3,6-dihydro-2H-pyran
SMILESICC1C=CCOC1
InChIInChI=1S/C6H9IO/c7-4-6-2-1-3-8-5-6/h1-2,6H,3-5H2
InChIKeyMVDWMCDOGHXOST-UHFFFAOYSA-N
MW224.04 g/mol
LogP1.62
Rot. Bonds1

About 3-(iodomethyl)-3,6-dihydro-2H-pyran

3-(iodomethyl)-3,6-dihydro-2H-pyran (PubChem CID 138500374) has the molecular formula C6H9IO and a molecular weight of 224.04 g/mol. Its IUPAC name is 3-(iodomethyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name3-(iodomethyl)-3,6-dihydro-2H-pyran
PubChem CID138500374
Molecular FormulaC6H9IO
Molecular Weight224.04 g/mol
Exact Mass223.97
IUPAC Name3-(iodomethyl)-3,6-dihydro-2H-pyran
SMILESICC1C=CCOC1
InChIInChI=1S/C6H9IO/c7-4-6-2-1-3-8-5-6/h1-2,6H,3-5H2
InChIKeyMVDWMCDOGHXOST-UHFFFAOYSA-N
XLogP1.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.04
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(iodomethyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 3-(iodomethyl)-3,6-dihydro-2H-pyran (CID 138500374) is 3-(iodomethyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 3-(iodomethyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 3-(iodomethyl)-3,6-dihydro-2H-pyran is ICC1C=CCOC1.
What is the InChIKey of 3-(iodomethyl)-3,6-dihydro-2H-pyran?
The InChIKey is MVDWMCDOGHXOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IO/c7-4-6-2-1-3-8-5-6/h1-2,6H,3-5H2.
What are the key properties of 3-(iodomethyl)-3,6-dihydro-2H-pyran?
3-(iodomethyl)-3,6-dihydro-2H-pyran has a molecular weight of 224.04 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(iodomethyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 138500374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).