2-ethyl-6,8-dihydro-5H-pyrano[3,4-b]pyran-4-one

C10H12O3 — CID 19771709

IUPAC2-ethyl-6,8-dihydro-5H-pyrano[3,4-b]pyran-4-one
SMILESCCc1cc(=O)c2c(o1)COCC2
InChIInChI=1S/C10H12O3/c1-2-7-5-9(11)8-3-4-12-6-10(8)13-7/h5H,2-4,6H2,1H3
InChIKeyUNIKDHFYWQHZHX-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.27
Rot. Bonds1

About 2-ethyl-6,8-dihydro-5H-pyrano[3,4-b]pyran-4-one

2-ethyl-6,8-dihydro-5H-pyrano[3,4-b]pyran-4-one (PubChem CID 19771709) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-ethyl-6,8-dihydro-5H-pyrano[3,4-b]pyran-4-one.

Molecular Properties

Compound Name2-ethyl-6,8-dihydro-5H-pyrano[3,4-b]pyran-4-one
PubChem CID19771709
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-ethyl-6,8-dihydro-5H-pyrano[3,4-b]pyran-4-one
SMILESCCc1cc(=O)c2c(o1)COCC2
InChIInChI=1S/C10H12O3/c1-2-7-5-9(11)8-3-4-12-6-10(8)13-7/h5H,2-4,6H2,1H3
InChIKeyUNIKDHFYWQHZHX-UHFFFAOYSA-N
XLogP1.27
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,8-dihydro-5H-pyrano[3,4-b]pyran-4-one?
The IUPAC name of 2-ethyl-6,8-dihydro-5H-pyrano[3,4-b]pyran-4-one (CID 19771709) is 2-ethyl-6,8-dihydro-5H-pyrano[3,4-b]pyran-4-one.
What is the SMILES notation for 2-ethyl-6,8-dihydro-5H-pyrano[3,4-b]pyran-4-one?
The canonical SMILES for 2-ethyl-6,8-dihydro-5H-pyrano[3,4-b]pyran-4-one is CCc1cc(=O)c2c(o1)COCC2.
What is the InChIKey of 2-ethyl-6,8-dihydro-5H-pyrano[3,4-b]pyran-4-one?
The InChIKey is UNIKDHFYWQHZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-2-7-5-9(11)8-3-4-12-6-10(8)13-7/h5H,2-4,6H2,1H3.
What are the key properties of 2-ethyl-6,8-dihydro-5H-pyrano[3,4-b]pyran-4-one?
2-ethyl-6,8-dihydro-5H-pyrano[3,4-b]pyran-4-one has a molecular weight of 180.20 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,8-dihydro-5H-pyrano[3,4-b]pyran-4-one is sourced from PubChem (CID 19771709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).