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

C8H14O — CID 91167446

IUPAC6-ethyl-3-methyl-3,4-dihydro-2H-pyran
SMILESCCC1=CCC(C)CO1
InChIInChI=1S/C8H14O/c1-3-8-5-4-7(2)6-9-8/h5,7H,3-4,6H2,1-2H3
InChIKeyIZKJNIPGCWJRPO-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.34
Rot. Bonds1

About 6-ethyl-3-methyl-3,4-dihydro-2H-pyran

6-ethyl-3-methyl-3,4-dihydro-2H-pyran (PubChem CID 91167446) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 6-ethyl-3-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-ethyl-3-methyl-3,4-dihydro-2H-pyran
PubChem CID91167446
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name6-ethyl-3-methyl-3,4-dihydro-2H-pyran
SMILESCCC1=CCC(C)CO1
InChIInChI=1S/C8H14O/c1-3-8-5-4-7(2)6-9-8/h5,7H,3-4,6H2,1-2H3
InChIKeyIZKJNIPGCWJRPO-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-ethyl-3-methyl-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

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 6-ethyl-3-methyl-3,4-dihydro-2H-pyran (CID 91167446) is 6-ethyl-3-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-ethyl-3-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-ethyl-3-methyl-3,4-dihydro-2H-pyran is CCC1=CCC(C)CO1.
What is the InChIKey of 6-ethyl-3-methyl-3,4-dihydro-2H-pyran?
The InChIKey is IZKJNIPGCWJRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-8-5-4-7(2)6-9-8/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 6-ethyl-3-methyl-3,4-dihydro-2H-pyran?
6-ethyl-3-methyl-3,4-dihydro-2H-pyran has a molecular weight of 126.20 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 91167446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).