2-ethyl-4H-pyran

C7H10O — CID 54421058

IUPAC2-ethyl-4H-pyran
SMILESCCC1=CCC=CO1
InChIInChI=1S/C7H10O/c1-2-7-5-3-4-6-8-7/h4-6H,2-3H2,1H3
InChIKeyUXJHJCDZFLFZBK-UHFFFAOYSA-N
MW110.16 g/mol
LogP2.21
Rot. Bonds1

About 2-ethyl-4H-pyran

2-ethyl-4H-pyran (PubChem CID 54421058) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-ethyl-4H-pyran.

Molecular Properties

Compound Name2-ethyl-4H-pyran
PubChem CID54421058
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name2-ethyl-4H-pyran
SMILESCCC1=CCC=CO1
InChIInChI=1S/C7H10O/c1-2-7-5-3-4-6-8-7/h4-6H,2-3H2,1H3
InChIKeyUXJHJCDZFLFZBK-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4H-pyran?
The IUPAC name of 2-ethyl-4H-pyran (CID 54421058) is 2-ethyl-4H-pyran.
What is the SMILES notation for 2-ethyl-4H-pyran?
The canonical SMILES for 2-ethyl-4H-pyran is CCC1=CCC=CO1.
What is the InChIKey of 2-ethyl-4H-pyran?
The InChIKey is UXJHJCDZFLFZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-2-7-5-3-4-6-8-7/h4-6H,2-3H2,1H3.
What are the key properties of 2-ethyl-4H-pyran?
2-ethyl-4H-pyran has a molecular weight of 110.16 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4H-pyran is sourced from PubChem (CID 54421058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).