2H-pyran-2-yl formate

C6H6O3 — CID 22277808

IUPAC2H-pyran-2-yl formate
SMILESO=COC1C=CC=CO1
InChIInChI=1S/C6H6O3/c7-5-9-6-3-1-2-4-8-6/h1-6H
InChIKeyRQCVNDUODVVVSK-UHFFFAOYSA-N
MW126.11 g/mol
LogP0.59
Rot. Bonds2

About 2H-pyran-2-yl formate

2H-pyran-2-yl formate (PubChem CID 22277808) has the molecular formula C6H6O3 and a molecular weight of 126.11 g/mol. Its IUPAC name is 2H-pyran-2-yl formate.

Molecular Properties

Compound Name2H-pyran-2-yl formate
PubChem CID22277808
Molecular FormulaC6H6O3
Molecular Weight126.11 g/mol
Exact Mass126.03
IUPAC Name2H-pyran-2-yl formate
SMILESO=COC1C=CC=CO1
InChIInChI=1S/C6H6O3/c7-5-9-6-3-1-2-4-8-6/h1-6H
InChIKeyRQCVNDUODVVVSK-UHFFFAOYSA-N
XLogP0.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2H-pyran-2-yl formate?
The IUPAC name of 2H-pyran-2-yl formate (CID 22277808) is 2H-pyran-2-yl formate.
What is the SMILES notation for 2H-pyran-2-yl formate?
The canonical SMILES for 2H-pyran-2-yl formate is O=COC1C=CC=CO1.
What is the InChIKey of 2H-pyran-2-yl formate?
The InChIKey is RQCVNDUODVVVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3/c7-5-9-6-3-1-2-4-8-6/h1-6H.
What are the key properties of 2H-pyran-2-yl formate?
2H-pyran-2-yl formate has a molecular weight of 126.11 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran-2-yl formate is sourced from PubChem (CID 22277808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).