2-(dimethoxymethyl)-6-methylidenepyran-4-ol

C9H12O4 — CID 89230068

IUPAC2-(dimethoxymethyl)-6-methylidenepyran-4-ol
SMILESC=C1C=C(O)C=C(C(OC)OC)O1
InChIInChI=1S/C9H12O4/c1-6-4-7(10)5-8(13-6)9(11-2)12-3/h4-5,9-10H,1H2,2-3H3
InChIKeyRPESQMUKOOQHDR-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.48
Rot. Bonds3

About 2-(dimethoxymethyl)-6-methylidenepyran-4-ol

2-(dimethoxymethyl)-6-methylidenepyran-4-ol (PubChem CID 89230068) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-6-methylidenepyran-4-ol.

Molecular Properties

Compound Name2-(dimethoxymethyl)-6-methylidenepyran-4-ol
PubChem CID89230068
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name2-(dimethoxymethyl)-6-methylidenepyran-4-ol
SMILESC=C1C=C(O)C=C(C(OC)OC)O1
InChIInChI=1S/C9H12O4/c1-6-4-7(10)5-8(13-6)9(11-2)12-3/h4-5,9-10H,1H2,2-3H3
InChIKeyRPESQMUKOOQHDR-UHFFFAOYSA-N
XLogP1.48
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-6-methylidenepyran-4-ol?
The IUPAC name of 2-(dimethoxymethyl)-6-methylidenepyran-4-ol (CID 89230068) is 2-(dimethoxymethyl)-6-methylidenepyran-4-ol.
What is the SMILES notation for 2-(dimethoxymethyl)-6-methylidenepyran-4-ol?
The canonical SMILES for 2-(dimethoxymethyl)-6-methylidenepyran-4-ol is C=C1C=C(O)C=C(C(OC)OC)O1.
What is the InChIKey of 2-(dimethoxymethyl)-6-methylidenepyran-4-ol?
The InChIKey is RPESQMUKOOQHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-6-4-7(10)5-8(13-6)9(11-2)12-3/h4-5,9-10H,1H2,2-3H3.
What are the key properties of 2-(dimethoxymethyl)-6-methylidenepyran-4-ol?
2-(dimethoxymethyl)-6-methylidenepyran-4-ol has a molecular weight of 184.19 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-6-methylidenepyran-4-ol is sourced from PubChem (CID 89230068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).