3,6-dihydro-2H-pyran-5-carboxylic acid

C6H8O3 — CID 14739016

IUPAC3,6-dihydro-2H-pyran-5-carboxylic acid
SMILESO=C(O)C1=CCCOC1
InChIInChI=1S/C6H8O3/c7-6(8)5-2-1-3-9-4-5/h2H,1,3-4H2,(H,7,8)
InChIKeyKZYJYFKCCFWQQU-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.42
Rot. Bonds1

About 3,6-dihydro-2H-pyran-5-carboxylic acid

3,6-dihydro-2H-pyran-5-carboxylic acid (PubChem CID 14739016) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyran-5-carboxylic acid.

Molecular Properties

Compound Name3,6-dihydro-2H-pyran-5-carboxylic acid
PubChem CID14739016
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name3,6-dihydro-2H-pyran-5-carboxylic acid
SMILESO=C(O)C1=CCCOC1
InChIInChI=1S/C6H8O3/c7-6(8)5-2-1-3-9-4-5/h2H,1,3-4H2,(H,7,8)
InChIKeyKZYJYFKCCFWQQU-UHFFFAOYSA-N
XLogP0.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyran-5-carboxylic acid?
The IUPAC name of 3,6-dihydro-2H-pyran-5-carboxylic acid (CID 14739016) is 3,6-dihydro-2H-pyran-5-carboxylic acid.
What is the SMILES notation for 3,6-dihydro-2H-pyran-5-carboxylic acid?
The canonical SMILES for 3,6-dihydro-2H-pyran-5-carboxylic acid is O=C(O)C1=CCCOC1.
What is the InChIKey of 3,6-dihydro-2H-pyran-5-carboxylic acid?
The InChIKey is KZYJYFKCCFWQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c7-6(8)5-2-1-3-9-4-5/h2H,1,3-4H2,(H,7,8).
What are the key properties of 3,6-dihydro-2H-pyran-5-carboxylic acid?
3,6-dihydro-2H-pyran-5-carboxylic acid has a molecular weight of 128.13 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyran-5-carboxylic acid is sourced from PubChem (CID 14739016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).