6-methoxy-3,6-dihydro-2H-pyran-3-ol

C6H10O3 — CID 11400783

IUPAC6-methoxy-3,6-dihydro-2H-pyran-3-ol
SMILESCOC1C=CC(O)CO1
InChIInChI=1S/C6H10O3/c1-8-6-3-2-5(7)4-9-6/h2-3,5-7H,4H2,1H3
InChIKeyBMUNPNICWOAEEE-UHFFFAOYSA-N
MW130.14 g/mol
LogP-0.09
Rot. Bonds1

About 6-methoxy-3,6-dihydro-2H-pyran-3-ol

6-methoxy-3,6-dihydro-2H-pyran-3-ol (PubChem CID 11400783) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 6-methoxy-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name6-methoxy-3,6-dihydro-2H-pyran-3-ol
PubChem CID11400783
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name6-methoxy-3,6-dihydro-2H-pyran-3-ol
SMILESCOC1C=CC(O)CO1
InChIInChI=1S/C6H10O3/c1-8-6-3-2-5(7)4-9-6/h2-3,5-7H,4H2,1H3
InChIKeyBMUNPNICWOAEEE-UHFFFAOYSA-N
XLogP-0.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxy-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of 6-methoxy-3,6-dihydro-2H-pyran-3-ol (CID 11400783) is 6-methoxy-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for 6-methoxy-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for 6-methoxy-3,6-dihydro-2H-pyran-3-ol is COC1C=CC(O)CO1.
What is the InChIKey of 6-methoxy-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is BMUNPNICWOAEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-8-6-3-2-5(7)4-9-6/h2-3,5-7H,4H2,1H3.
What are the key properties of 6-methoxy-3,6-dihydro-2H-pyran-3-ol?
6-methoxy-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 130.14 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 11400783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).