4-ethyl-3,4-dihydro-2H-pyran

C7H12O — CID 70641358

IUPAC4-ethyl-3,4-dihydro-2H-pyran
SMILESCCC1C=COCC1
InChIInChI=1S/C7H12O/c1-2-7-3-5-8-6-4-7/h3,5,7H,2,4,6H2,1H3
InChIKeyLJGIWKWVBYEUON-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.95
Rot. Bonds1

About 4-ethyl-3,4-dihydro-2H-pyran

4-ethyl-3,4-dihydro-2H-pyran (PubChem CID 70641358) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 4-ethyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name4-ethyl-3,4-dihydro-2H-pyran
PubChem CID70641358
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name4-ethyl-3,4-dihydro-2H-pyran
SMILESCCC1C=COCC1
InChIInChI=1S/C7H12O/c1-2-7-3-5-8-6-4-7/h3,5,7H,2,4,6H2,1H3
InChIKeyLJGIWKWVBYEUON-UHFFFAOYSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-ethyl-3,4-dihydro-2H-pyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Ethenyloxane
CID 12411805
3,4-dihydro-4-methyl-2H-pyran
CID 102776
3-Methyl-3,4-dihydro-2H-pyran
CID 21679899
3-Oxabicyclo[4.1.0]hept-4-ene
CID 91282244
4-Methyl-2,3-dihydro-2H-pyran
CID 58503119
(4S)-4-methyl-3,4-dihydro-2H-pyran
CID 643054
4-Ethyl-4-methyl-2,3-dihydropyran
CID 13464500
4-butan-2-yl-4H-pyran
CID 10725412
(3S)-3-methyl-3,4-dihydro-2H-pyran
CID 643062
(2R,3S)-2,3-dimethyl-3,4-dihydro-2H-pyran
CID 13895990
2,3-dimethyl-3,4-dihydro-2H-pyran
CID 13895989
2,4-dimethyl-3,4-dihydro-2H-pyran
CID 20616053

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,4-dihydro-2H-pyran?
The IUPAC name of 4-ethyl-3,4-dihydro-2H-pyran (CID 70641358) is 4-ethyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 4-ethyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 4-ethyl-3,4-dihydro-2H-pyran is CCC1C=COCC1.
What is the InChIKey of 4-ethyl-3,4-dihydro-2H-pyran?
The InChIKey is LJGIWKWVBYEUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-2-7-3-5-8-6-4-7/h3,5,7H,2,4,6H2,1H3.
What are the key properties of 4-ethyl-3,4-dihydro-2H-pyran?
4-ethyl-3,4-dihydro-2H-pyran has a molecular weight of 112.17 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 70641358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).