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

C7H10O3 — CID 23314167

IUPAC4-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILESCC1C=C(C(=O)O)OCC1
InChIInChI=1S/C7H10O3/c1-5-2-3-10-6(4-5)7(8)9/h4-5H,2-3H2,1H3,(H,8,9)
InChIKeyJUVKIOLTVFBWAT-UHFFFAOYSA-N
MW142.15 g/mol
LogP1.01
Rot. Bonds1

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

4-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid (PubChem CID 23314167) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid
PubChem CID23314167
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILESCC1C=C(C(=O)O)OCC1
InChIInChI=1S/C7H10O3/c1-5-2-3-10-6(4-5)7(8)9/h4-5H,2-3H2,1H3,(H,8,9)
InChIKeyJUVKIOLTVFBWAT-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 4-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid?
The IUPAC name of 4-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid (CID 23314167) is 4-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid.
What is the SMILES notation for 4-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid?
The canonical SMILES for 4-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid is CC1C=C(C(=O)O)OCC1.
What is the InChIKey of 4-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid?
The InChIKey is JUVKIOLTVFBWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-5-2-3-10-6(4-5)7(8)9/h4-5H,2-3H2,1H3,(H,8,9).
What are the key properties of 4-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid?
4-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 4-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid is sourced from PubChem (CID 23314167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).