4-ethylpyran-4-ol

C7H10O2 — CID 57316018

IUPAC4-ethylpyran-4-ol
SMILESCCC1(O)C=COC=C1
InChIInChI=1S/C7H10O2/c1-2-7(8)3-5-9-6-4-7/h3-6,8H,2H2,1H3
InChIKeyJMNGDDDMCAVCSO-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.19
Rot. Bonds1

About 4-ethylpyran-4-ol

4-ethylpyran-4-ol (PubChem CID 57316018) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 4-ethylpyran-4-ol.

Molecular Properties

Compound Name4-ethylpyran-4-ol
PubChem CID57316018
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name4-ethylpyran-4-ol
SMILESCCC1(O)C=COC=C1
InChIInChI=1S/C7H10O2/c1-2-7(8)3-5-9-6-4-7/h3-6,8H,2H2,1H3
InChIKeyJMNGDDDMCAVCSO-UHFFFAOYSA-N
XLogP1.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethylpyran-4-ol?
The IUPAC name of 4-ethylpyran-4-ol (CID 57316018) is 4-ethylpyran-4-ol.
What is the SMILES notation for 4-ethylpyran-4-ol?
The canonical SMILES for 4-ethylpyran-4-ol is CCC1(O)C=COC=C1.
What is the InChIKey of 4-ethylpyran-4-ol?
The InChIKey is JMNGDDDMCAVCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-2-7(8)3-5-9-6-4-7/h3-6,8H,2H2,1H3.
What are the key properties of 4-ethylpyran-4-ol?
4-ethylpyran-4-ol has a molecular weight of 126.15 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylpyran-4-ol is sourced from PubChem (CID 57316018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).