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

C8H10O5 — CID 163935540

IUPAC2-methyl-3,4-dihydro-2H-pyran-4,6-dicarboxylic acid
SMILESCC1CC(C(=O)O)C=C(C(=O)O)O1
InChIInChI=1S/C8H10O5/c1-4-2-5(7(9)10)3-6(13-4)8(11)12/h3-5H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyRMMBRAIKLLIPCF-UHFFFAOYSA-N
MW186.16 g/mol
LogP0.46
Rot. Bonds2

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

2-methyl-3,4-dihydro-2H-pyran-4,6-dicarboxylic acid (PubChem CID 163935540) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-2H-pyran-4,6-dicarboxylic acid.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-2H-pyran-4,6-dicarboxylic acid
PubChem CID163935540
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name2-methyl-3,4-dihydro-2H-pyran-4,6-dicarboxylic acid
SMILESCC1CC(C(=O)O)C=C(C(=O)O)O1
InChIInChI=1S/C8H10O5/c1-4-2-5(7(9)10)3-6(13-4)8(11)12/h3-5H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyRMMBRAIKLLIPCF-UHFFFAOYSA-N
XLogP0.46
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydro-2H-pyran-4,6-dicarboxylic acid?
The IUPAC name of 2-methyl-3,4-dihydro-2H-pyran-4,6-dicarboxylic acid (CID 163935540) is 2-methyl-3,4-dihydro-2H-pyran-4,6-dicarboxylic acid.
What is the SMILES notation for 2-methyl-3,4-dihydro-2H-pyran-4,6-dicarboxylic acid?
The canonical SMILES for 2-methyl-3,4-dihydro-2H-pyran-4,6-dicarboxylic acid is CC1CC(C(=O)O)C=C(C(=O)O)O1.
What is the InChIKey of 2-methyl-3,4-dihydro-2H-pyran-4,6-dicarboxylic acid?
The InChIKey is RMMBRAIKLLIPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5/c1-4-2-5(7(9)10)3-6(13-4)8(11)12/h3-5H,2H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-methyl-3,4-dihydro-2H-pyran-4,6-dicarboxylic acid?
2-methyl-3,4-dihydro-2H-pyran-4,6-dicarboxylic acid has a molecular weight of 186.16 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydro-2H-pyran-4,6-dicarboxylic acid is sourced from PubChem (CID 163935540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).