(2R,6R)-2-(chloromethyl)-3,6-dihydro-2H-pyran-6-ol

C6H9ClO2 — CID 55298588

IUPAC(2R,6R)-2-(chloromethyl)-3,6-dihydro-2H-pyran-6-ol
SMILESO[C@H]1C=CC[C@H](CCl)O1
InChIInChI=1S/C6H9ClO2/c7-4-5-2-1-3-6(8)9-5/h1,3,5-6,8H,2,4H2/t5-,6-/m1/s1
InChIKeyMBHMTZKBEIYYJG-PHDIDXHHSA-N
MW148.59 g/mol
LogP0.89
Rot. Bonds1

About (2R,6R)-2-(chloromethyl)-3,6-dihydro-2H-pyran-6-ol

(2R,6R)-2-(chloromethyl)-3,6-dihydro-2H-pyran-6-ol (PubChem CID 55298588) has the molecular formula C6H9ClO2 and a molecular weight of 148.59 g/mol. Its IUPAC name is (2R,6R)-2-(chloromethyl)-3,6-dihydro-2H-pyran-6-ol.

Molecular Properties

Compound Name(2R,6R)-2-(chloromethyl)-3,6-dihydro-2H-pyran-6-ol
PubChem CID55298588
Molecular FormulaC6H9ClO2
Molecular Weight148.59 g/mol
Exact Mass148.03
IUPAC Name(2R,6R)-2-(chloromethyl)-3,6-dihydro-2H-pyran-6-ol
SMILESO[C@H]1C=CC[C@H](CCl)O1
InChIInChI=1S/C6H9ClO2/c7-4-5-2-1-3-6(8)9-5/h1,3,5-6,8H,2,4H2/t5-,6-/m1/s1
InChIKeyMBHMTZKBEIYYJG-PHDIDXHHSA-N
XLogP0.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-(chloromethyl)-3,6-dihydro-2H-pyran-6-ol?
The IUPAC name of (2R,6R)-2-(chloromethyl)-3,6-dihydro-2H-pyran-6-ol (CID 55298588) is (2R,6R)-2-(chloromethyl)-3,6-dihydro-2H-pyran-6-ol.
What is the SMILES notation for (2R,6R)-2-(chloromethyl)-3,6-dihydro-2H-pyran-6-ol?
The canonical SMILES for (2R,6R)-2-(chloromethyl)-3,6-dihydro-2H-pyran-6-ol is O[C@H]1C=CC[C@H](CCl)O1.
What is the InChIKey of (2R,6R)-2-(chloromethyl)-3,6-dihydro-2H-pyran-6-ol?
The InChIKey is MBHMTZKBEIYYJG-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H9ClO2/c7-4-5-2-1-3-6(8)9-5/h1,3,5-6,8H,2,4H2/t5-,6-/m1/s1.
What are the key properties of (2R,6R)-2-(chloromethyl)-3,6-dihydro-2H-pyran-6-ol?
(2R,6R)-2-(chloromethyl)-3,6-dihydro-2H-pyran-6-ol has a molecular weight of 148.59 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-(chloromethyl)-3,6-dihydro-2H-pyran-6-ol is sourced from PubChem (CID 55298588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).