2-(ethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran

C9H16O2 — CID 70503984

IUPAC2-(ethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran
SMILESCCOCC1CCC(C)=CO1
InChIInChI=1S/C9H16O2/c1-3-10-7-9-5-4-8(2)6-11-9/h6,9H,3-5,7H2,1-2H3
InChIKeyMNOBSUSXRDNARS-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.11
Rot. Bonds3

About 2-(ethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran

2-(ethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran (PubChem CID 70503984) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(ethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-(ethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran
PubChem CID70503984
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(ethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran
SMILESCCOCC1CCC(C)=CO1
InChIInChI=1S/C9H16O2/c1-3-10-7-9-5-4-8(2)6-11-9/h6,9H,3-5,7H2,1-2H3
InChIKeyMNOBSUSXRDNARS-UHFFFAOYSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(ethoxymethyl)-5-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 2-(ethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 2-(ethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran (CID 70503984) is 2-(ethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-(ethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 2-(ethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran is CCOCC1CCC(C)=CO1.
What is the InChIKey of 2-(ethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran?
The InChIKey is MNOBSUSXRDNARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-10-7-9-5-4-8(2)6-11-9/h6,9H,3-5,7H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran?
2-(ethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran has a molecular weight of 156.22 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 70503984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).