5-ethoxy-6-methyl-2H-pyran

C8H12O2 — CID 154452264

IUPAC5-ethoxy-6-methyl-2H-pyran
SMILESCCOC1=C(C)OCC=C1
InChIInChI=1S/C8H12O2/c1-3-9-8-5-4-6-10-7(8)2/h4-5H,3,6H2,1-2H3
InChIKeyNTLRPQUZYFYOIC-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.84
Rot. Bonds2

About 5-ethoxy-6-methyl-2H-pyran

5-ethoxy-6-methyl-2H-pyran (PubChem CID 154452264) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 5-ethoxy-6-methyl-2H-pyran.

Molecular Properties

Compound Name5-ethoxy-6-methyl-2H-pyran
PubChem CID154452264
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name5-ethoxy-6-methyl-2H-pyran
SMILESCCOC1=C(C)OCC=C1
InChIInChI=1S/C8H12O2/c1-3-9-8-5-4-6-10-7(8)2/h4-5H,3,6H2,1-2H3
InChIKeyNTLRPQUZYFYOIC-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-ethoxy-6-methyl-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

2-ethoxy-1-methylcyclohexa-1,3-diene
CID 19805352
2-ethoxy-1,4-dimethylcyclohexa-1,3-diene
CID 142132328
ethane;1-ethoxy-4-methylcyclohepta-1,3,5-triene
CID 164862064
(2-propoxycyclopenta-1,3-dien-1-yl)silane
CID 174473655
2H-chromene;propane
CID 160650237
ethyl 2H-pyran-5-carboxylate
CID 56632692
5-methyl-6-propan-2-yl-2H-pyran
CID 89041205
ethane;1-methyl-2-propoxycyclohexa-1,3-diene
CID 144678708
7-(6-cyclohexylhexyl)-5-ethoxy-2H-chromene
CID 90960111
2-[(E)-4-ethoxybut-2-enoxy]-1-methylcyclohexa-1,3-diene
CID 143806825
2-chloro-2-(4-ethoxyphenyl)-5H-1,2lambda4-oxatellurole
CID 14953971
CID 147900452
CID 147900452

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-6-methyl-2H-pyran?
The IUPAC name of 5-ethoxy-6-methyl-2H-pyran (CID 154452264) is 5-ethoxy-6-methyl-2H-pyran.
What is the SMILES notation for 5-ethoxy-6-methyl-2H-pyran?
The canonical SMILES for 5-ethoxy-6-methyl-2H-pyran is CCOC1=C(C)OCC=C1.
What is the InChIKey of 5-ethoxy-6-methyl-2H-pyran?
The InChIKey is NTLRPQUZYFYOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-9-8-5-4-6-10-7(8)2/h4-5H,3,6H2,1-2H3.
What are the key properties of 5-ethoxy-6-methyl-2H-pyran?
5-ethoxy-6-methyl-2H-pyran has a molecular weight of 140.18 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-6-methyl-2H-pyran is sourced from PubChem (CID 154452264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).