2,4-dimethoxy-6-(methoxymethyl)-3,6-dihydro-2H-pyran-3-ol

C9H16O5 — CID 70916063

IUPAC2,4-dimethoxy-6-(methoxymethyl)-3,6-dihydro-2H-pyran-3-ol
SMILESCOCC1C=C(OC)C(O)C(OC)O1
InChIInChI=1S/C9H16O5/c1-11-5-6-4-7(12-2)8(10)9(13-3)14-6/h4,6,8-10H,5H2,1-3H3
InChIKeyUXNGPEMIZYAKRH-UHFFFAOYSA-N
MW204.22 g/mol
LogP-0.10
Rot. Bonds4

About 2,4-dimethoxy-6-(methoxymethyl)-3,6-dihydro-2H-pyran-3-ol

2,4-dimethoxy-6-(methoxymethyl)-3,6-dihydro-2H-pyran-3-ol (PubChem CID 70916063) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is 2,4-dimethoxy-6-(methoxymethyl)-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name2,4-dimethoxy-6-(methoxymethyl)-3,6-dihydro-2H-pyran-3-ol
PubChem CID70916063
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name2,4-dimethoxy-6-(methoxymethyl)-3,6-dihydro-2H-pyran-3-ol
SMILESCOCC1C=C(OC)C(O)C(OC)O1
InChIInChI=1S/C9H16O5/c1-11-5-6-4-7(12-2)8(10)9(13-3)14-6/h4,6,8-10H,5H2,1-3H3
InChIKeyUXNGPEMIZYAKRH-UHFFFAOYSA-N
XLogP-0.10
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-(methoxymethyl)-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of 2,4-dimethoxy-6-(methoxymethyl)-3,6-dihydro-2H-pyran-3-ol (CID 70916063) is 2,4-dimethoxy-6-(methoxymethyl)-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for 2,4-dimethoxy-6-(methoxymethyl)-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for 2,4-dimethoxy-6-(methoxymethyl)-3,6-dihydro-2H-pyran-3-ol is COCC1C=C(OC)C(O)C(OC)O1.
What is the InChIKey of 2,4-dimethoxy-6-(methoxymethyl)-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is UXNGPEMIZYAKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5/c1-11-5-6-4-7(12-2)8(10)9(13-3)14-6/h4,6,8-10H,5H2,1-3H3.
What are the key properties of 2,4-dimethoxy-6-(methoxymethyl)-3,6-dihydro-2H-pyran-3-ol?
2,4-dimethoxy-6-(methoxymethyl)-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 204.22 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-(methoxymethyl)-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 70916063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).