6-(hydroxymethyl)-2-methoxy-3,6-dihydro-2H-pyran-3-ol

C7H12O4 — CID 13323017

IUPAC6-(hydroxymethyl)-2-methoxy-3,6-dihydro-2H-pyran-3-ol
SMILESCOC1OC(CO)C=CC1O
InChIInChI=1S/C7H12O4/c1-10-7-6(9)3-2-5(4-8)11-7/h2-3,5-9H,4H2,1H3
InChIKeyXLCRNRXVGDUCAP-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.73
Rot. Bonds2

About 6-(hydroxymethyl)-2-methoxy-3,6-dihydro-2H-pyran-3-ol

6-(hydroxymethyl)-2-methoxy-3,6-dihydro-2H-pyran-3-ol (PubChem CID 13323017) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2-methoxy-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name6-(hydroxymethyl)-2-methoxy-3,6-dihydro-2H-pyran-3-ol
PubChem CID13323017
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name6-(hydroxymethyl)-2-methoxy-3,6-dihydro-2H-pyran-3-ol
SMILESCOC1OC(CO)C=CC1O
InChIInChI=1S/C7H12O4/c1-10-7-6(9)3-2-5(4-8)11-7/h2-3,5-9H,4H2,1H3
InChIKeyXLCRNRXVGDUCAP-UHFFFAOYSA-N
XLogP-0.73
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2-methoxy-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of 6-(hydroxymethyl)-2-methoxy-3,6-dihydro-2H-pyran-3-ol (CID 13323017) is 6-(hydroxymethyl)-2-methoxy-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for 6-(hydroxymethyl)-2-methoxy-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for 6-(hydroxymethyl)-2-methoxy-3,6-dihydro-2H-pyran-3-ol is COC1OC(CO)C=CC1O.
What is the InChIKey of 6-(hydroxymethyl)-2-methoxy-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is XLCRNRXVGDUCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-10-7-6(9)3-2-5(4-8)11-7/h2-3,5-9H,4H2,1H3.
What are the key properties of 6-(hydroxymethyl)-2-methoxy-3,6-dihydro-2H-pyran-3-ol?
6-(hydroxymethyl)-2-methoxy-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 160.17 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2-methoxy-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 13323017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).