2,2-dimethoxypyran-3-ol

C7H10O4 — CID 69385758

IUPAC2,2-dimethoxypyran-3-ol
SMILESCOC1(OC)OC=CC=C1O
InChIInChI=1S/C7H10O4/c1-9-7(10-2)6(8)4-3-5-11-7/h3-5,8H,1-2H3
InChIKeyJDQGMHUZFIGCSK-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.92
Rot. Bonds2

About 2,2-dimethoxypyran-3-ol

2,2-dimethoxypyran-3-ol (PubChem CID 69385758) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 2,2-dimethoxypyran-3-ol.

Molecular Properties

Compound Name2,2-dimethoxypyran-3-ol
PubChem CID69385758
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name2,2-dimethoxypyran-3-ol
SMILESCOC1(OC)OC=CC=C1O
InChIInChI=1S/C7H10O4/c1-9-7(10-2)6(8)4-3-5-11-7/h3-5,8H,1-2H3
InChIKeyJDQGMHUZFIGCSK-UHFFFAOYSA-N
XLogP0.92
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.92
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 2,2-dimethoxypyran-3-ol?
The IUPAC name of 2,2-dimethoxypyran-3-ol (CID 69385758) is 2,2-dimethoxypyran-3-ol.
What is the SMILES notation for 2,2-dimethoxypyran-3-ol?
The canonical SMILES for 2,2-dimethoxypyran-3-ol is COC1(OC)OC=CC=C1O.
What is the InChIKey of 2,2-dimethoxypyran-3-ol?
The InChIKey is JDQGMHUZFIGCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-9-7(10-2)6(8)4-3-5-11-7/h3-5,8H,1-2H3.
What are the key properties of 2,2-dimethoxypyran-3-ol?
2,2-dimethoxypyran-3-ol has a molecular weight of 158.15 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxypyran-3-ol is sourced from PubChem (CID 69385758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).