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

C7H10O3 — CID 166000570

IUPAC4-methyl-3,6-dihydro-2H-pyran-5-carboxylic acid
SMILESCC1=C(COCC1)C(=O)O
InChIInChI=1S/C7H10O3/c1-5-2-3-10-4-6(5)7(8)9/h2-4H2,1H3,(H,8,9)
InChIKeyTYKIUSMKPCGAPY-UHFFFAOYSA-N
MW142.15 g/mol
LogP-0.10
Rot. Bonds1

About 4-methyl-5,6-dihydro-2H-pyran-3-carboxylic acid

4-methyl-5,6-dihydro-2H-pyran-3-carboxylic acid (PubChem CID 166000570) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4-methyl-3,6-dihydro-2H-pyran-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-5,6-dihydro-2H-pyran-3-carboxylic acid
PubChem CID166000570
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4-methyl-3,6-dihydro-2H-pyran-5-carboxylic acid
SMILESCC1=C(COCC1)C(=O)O
InChIInChI=1S/C7H10O3/c1-5-2-3-10-4-6(5)7(8)9/h2-4H2,1H3,(H,8,9)
InChIKeyTYKIUSMKPCGAPY-UHFFFAOYSA-N
XLogP-0.10
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity181

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-5,6-dihydro-2H-pyran-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-Dihydro-2H-pyran-3-carboxylic acid
CID 14739016
(4R)-2,4-dimethyl-5-oxo-2,5-dihydrofuran-3-carboxylic acid
CID 92259541
(4S)-2,4-dimethyl-5-oxo-2,5-dihydrofuran-3-carboxylic acid
CID 92259590
2(5H)-Furanone, 3-ethyl-4-(hydroxymethyl)-(9CI)
CID 11286523
4-chloro-5,6-dihydro-2H-pyran-3-carboxylic acid
CID 81604928
Ethyl 5-ethyl-4-hydroxy-2-methyl-6-oxopyran-3-carboxylate
CID 54676699
3-[(1R)-1-Hydroxyethyl]-4-methylfuran-2(5H)-one
CID 101241962
3-[(1s)-1-Hydroxyethyl]-4-methylfuran-2(5h)-one
CID 129848527
3,4-dimethyl-5,6-dihydro-2H-pyran-2-one
CID 10920516
4-Hydroxy-3,6-dimethyl-5,6-dihydro-2-pyrone
CID 54696332
(2R)-4-hydroxy-2,5-dimethyl-2,3-dihydropyran-6-one
CID 100944243
2,4-dimethyl-5-oxo-2H-furan-3-carboxylic acid
CID 12426364

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5,6-dihydro-2H-pyran-3-carboxylic acid?
The IUPAC name of 4-methyl-5,6-dihydro-2H-pyran-3-carboxylic acid (CID 166000570) is 4-methyl-3,6-dihydro-2H-pyran-5-carboxylic acid.
What is the SMILES notation for 4-methyl-5,6-dihydro-2H-pyran-3-carboxylic acid?
The canonical SMILES for 4-methyl-5,6-dihydro-2H-pyran-3-carboxylic acid is CC1=C(COCC1)C(=O)O.
What is the InChIKey of 4-methyl-5,6-dihydro-2H-pyran-3-carboxylic acid?
The InChIKey is TYKIUSMKPCGAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-5-2-3-10-4-6(5)7(8)9/h2-4H2,1H3,(H,8,9).
What are the key properties of 4-methyl-5,6-dihydro-2H-pyran-3-carboxylic acid?
4-methyl-5,6-dihydro-2H-pyran-3-carboxylic acid has a molecular weight of 142.15 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5,6-dihydro-2H-pyran-3-carboxylic acid is sourced from PubChem (CID 166000570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).