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

C8H12O3 — CID 75524989

IUPAC6-ethyl-3,4-dihydro-2H-pyran-5-carboxylic acid
SMILESCCC1=C(C(=O)O)CCCO1
InChIInChI=1S/C8H12O3/c1-2-7-6(8(9)10)4-3-5-11-7/h2-5H2,1H3,(H,9,10)
InChIKeyZYTARHXIOFZCHV-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.55
Rot. Bonds2

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

6-ethyl-3,4-dihydro-2H-pyran-5-carboxylic acid (PubChem CID 75524989) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 6-ethyl-3,4-dihydro-2H-pyran-5-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-3,4-dihydro-2H-pyran-5-carboxylic acid
PubChem CID75524989
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name6-ethyl-3,4-dihydro-2H-pyran-5-carboxylic acid
SMILESCCC1=C(C(=O)O)CCCO1
InChIInChI=1S/C8H12O3/c1-2-7-6(8(9)10)4-3-5-11-7/h2-5H2,1H3,(H,9,10)
InChIKeyZYTARHXIOFZCHV-UHFFFAOYSA-N
XLogP1.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,4-dihydro-2H-pyran-5-carboxylic acid?
The IUPAC name of 6-ethyl-3,4-dihydro-2H-pyran-5-carboxylic acid (CID 75524989) is 6-ethyl-3,4-dihydro-2H-pyran-5-carboxylic acid.
What is the SMILES notation for 6-ethyl-3,4-dihydro-2H-pyran-5-carboxylic acid?
The canonical SMILES for 6-ethyl-3,4-dihydro-2H-pyran-5-carboxylic acid is CCC1=C(C(=O)O)CCCO1.
What is the InChIKey of 6-ethyl-3,4-dihydro-2H-pyran-5-carboxylic acid?
The InChIKey is ZYTARHXIOFZCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-2-7-6(8(9)10)4-3-5-11-7/h2-5H2,1H3,(H,9,10).
What are the key properties of 6-ethyl-3,4-dihydro-2H-pyran-5-carboxylic acid?
6-ethyl-3,4-dihydro-2H-pyran-5-carboxylic acid has a molecular weight of 156.18 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,4-dihydro-2H-pyran-5-carboxylic acid is sourced from PubChem (CID 75524989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).