4-ethylpyran-3,4-diol

C7H10O3 — CID 19610828

IUPAC4-ethylpyran-3,4-diol
SMILESCCC1(O)C=COC=C1O
InChIInChI=1S/C7H10O3/c1-2-7(9)3-4-10-5-6(7)8/h3-5,8-9H,2H2,1H3
InChIKeyUWXXVVMIKLBWHJ-UHFFFAOYSA-N
MW142.15 g/mol
LogP1.07
Rot. Bonds1

About 4-ethylpyran-3,4-diol

4-ethylpyran-3,4-diol (PubChem CID 19610828) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4-ethylpyran-3,4-diol.

Molecular Properties

Compound Name4-ethylpyran-3,4-diol
PubChem CID19610828
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4-ethylpyran-3,4-diol
SMILESCCC1(O)C=COC=C1O
InChIInChI=1S/C7H10O3/c1-2-7(9)3-4-10-5-6(7)8/h3-5,8-9H,2H2,1H3
InChIKeyUWXXVVMIKLBWHJ-UHFFFAOYSA-N
XLogP1.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylpyran-3,4-diol?
The IUPAC name of 4-ethylpyran-3,4-diol (CID 19610828) is 4-ethylpyran-3,4-diol.
What is the SMILES notation for 4-ethylpyran-3,4-diol?
The canonical SMILES for 4-ethylpyran-3,4-diol is CCC1(O)C=COC=C1O.
What is the InChIKey of 4-ethylpyran-3,4-diol?
The InChIKey is UWXXVVMIKLBWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-2-7(9)3-4-10-5-6(7)8/h3-5,8-9H,2H2,1H3.
What are the key properties of 4-ethylpyran-3,4-diol?
4-ethylpyran-3,4-diol has a molecular weight of 142.15 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylpyran-3,4-diol is sourced from PubChem (CID 19610828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).