2H-pyran-2-yl acetate

C7H8O3 — CID 69108588

IUPAC2H-pyran-2-yl acetate
SMILESCC(=O)OC1C=CC=CO1
InChIInChI=1S/C7H8O3/c1-6(8)10-7-4-2-3-5-9-7/h2-5,7H,1H3
InChIKeyNBQIRSAKZRFIHL-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.98
Rot. Bonds1

About 2H-pyran-2-yl acetate

2H-pyran-2-yl acetate (PubChem CID 69108588) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2H-pyran-2-yl acetate.

Molecular Properties

Compound Name2H-pyran-2-yl acetate
PubChem CID69108588
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name2H-pyran-2-yl acetate
SMILESCC(=O)OC1C=CC=CO1
InChIInChI=1S/C7H8O3/c1-6(8)10-7-4-2-3-5-9-7/h2-5,7H,1H3
InChIKeyNBQIRSAKZRFIHL-UHFFFAOYSA-N
XLogP0.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-pyran-2-yl acetate?
The IUPAC name of 2H-pyran-2-yl acetate (CID 69108588) is 2H-pyran-2-yl acetate.
What is the SMILES notation for 2H-pyran-2-yl acetate?
The canonical SMILES for 2H-pyran-2-yl acetate is CC(=O)OC1C=CC=CO1.
What is the InChIKey of 2H-pyran-2-yl acetate?
The InChIKey is NBQIRSAKZRFIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-6(8)10-7-4-2-3-5-9-7/h2-5,7H,1H3.
What are the key properties of 2H-pyran-2-yl acetate?
2H-pyran-2-yl acetate has a molecular weight of 140.14 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran-2-yl acetate is sourced from PubChem (CID 69108588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).