3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid

C7H10O3 — CID 23314155

IUPAC3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILESCC1CC=C(C(=O)O)OC1
InChIInChI=1S/C7H10O3/c1-5-2-3-6(7(8)9)10-4-5/h3,5H,2,4H2,1H3,(H,8,9)
InChIKeyCEMUTYUYORXOFL-UHFFFAOYSA-N
MW142.15 g/mol
LogP1.01
Rot. Bonds1

About 3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid

3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid (PubChem CID 23314155) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid.

Molecular Properties

Compound Name3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid
PubChem CID23314155
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILESCC1CC=C(C(=O)O)OC1
InChIInChI=1S/C7H10O3/c1-5-2-3-6(7(8)9)10-4-5/h3,5H,2,4H2,1H3,(H,8,9)
InChIKeyCEMUTYUYORXOFL-UHFFFAOYSA-N
XLogP1.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid?
The IUPAC name of 3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid (CID 23314155) is 3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid.
What is the SMILES notation for 3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid?
The canonical SMILES for 3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid is CC1CC=C(C(=O)O)OC1.
What is the InChIKey of 3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid?
The InChIKey is CEMUTYUYORXOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-5-2-3-6(7(8)9)10-4-5/h3,5H,2,4H2,1H3,(H,8,9).
What are the key properties of 3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid?
3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid has a molecular weight of 142.15 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid is sourced from PubChem (CID 23314155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).