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

C8H12O3 — CID 23314159

IUPAC2,3-dimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILESCC1CC=C(C(=O)O)OC1C
InChIInChI=1S/C8H12O3/c1-5-3-4-7(8(9)10)11-6(5)2/h4-6H,3H2,1-2H3,(H,9,10)
InChIKeyRRDNVQFMCSBNJP-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.40
Rot. Bonds1

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

2,3-dimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid (PubChem CID 23314159) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2,3-dimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid.

Molecular Properties

Compound Name2,3-dimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid
PubChem CID23314159
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2,3-dimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILESCC1CC=C(C(=O)O)OC1C
InChIInChI=1S/C8H12O3/c1-5-3-4-7(8(9)10)11-6(5)2/h4-6H,3H2,1-2H3,(H,9,10)
InChIKeyRRDNVQFMCSBNJP-UHFFFAOYSA-N
XLogP1.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid?
The IUPAC name of 2,3-dimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid (CID 23314159) is 2,3-dimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid.
What is the SMILES notation for 2,3-dimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid?
The canonical SMILES for 2,3-dimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid is CC1CC=C(C(=O)O)OC1C.
What is the InChIKey of 2,3-dimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid?
The InChIKey is RRDNVQFMCSBNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-5-3-4-7(8(9)10)11-6(5)2/h4-6H,3H2,1-2H3,(H,9,10).
What are the key properties of 2,3-dimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid?
2,3-dimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid has a molecular weight of 156.18 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid is sourced from PubChem (CID 23314159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).