2,2-dimethoxypyran

C7H10O3 — CID 174986022

IUPAC2,2-dimethoxypyran
SMILESCOC1(OC)C=CC=CO1
InChIInChI=1S/C7H10O3/c1-8-7(9-2)5-3-4-6-10-7/h3-6H,1-2H3
InChIKeyVRZYPIWRCWDECW-UHFFFAOYSA-N
MW142.15 g/mol
LogP1.03
Rot. Bonds2

About 2,2-dimethoxypyran

2,2-dimethoxypyran (PubChem CID 174986022) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 2,2-dimethoxypyran.

Molecular Properties

Compound Name2,2-dimethoxypyran
PubChem CID174986022
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name2,2-dimethoxypyran
SMILESCOC1(OC)C=CC=CO1
InChIInChI=1S/C7H10O3/c1-8-7(9-2)5-3-4-6-10-7/h3-6H,1-2H3
InChIKeyVRZYPIWRCWDECW-UHFFFAOYSA-N
XLogP1.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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?
The IUPAC name of 2,2-dimethoxypyran (CID 174986022) is 2,2-dimethoxypyran.
What is the SMILES notation for 2,2-dimethoxypyran?
The canonical SMILES for 2,2-dimethoxypyran is COC1(OC)C=CC=CO1.
What is the InChIKey of 2,2-dimethoxypyran?
The InChIKey is VRZYPIWRCWDECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-8-7(9-2)5-3-4-6-10-7/h3-6H,1-2H3.
What are the key properties of 2,2-dimethoxypyran?
2,2-dimethoxypyran has a molecular weight of 142.15 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxypyran is sourced from PubChem (CID 174986022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).