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

C9H16O2 — CID 20609708

IUPAC2-ethyl-6-methoxy-3-methyl-3,6-dihydro-2H-pyran
SMILESCCC1OC(OC)C=CC1C
InChIInChI=1S/C9H16O2/c1-4-8-7(2)5-6-9(10-3)11-8/h5-9H,4H2,1-3H3
InChIKeyVJJZFMUKDLNKME-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds2

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

2-ethyl-6-methoxy-3-methyl-3,6-dihydro-2H-pyran (PubChem CID 20609708) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-ethyl-6-methoxy-3-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2-ethyl-6-methoxy-3-methyl-3,6-dihydro-2H-pyran
PubChem CID20609708
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-ethyl-6-methoxy-3-methyl-3,6-dihydro-2H-pyran
SMILESCCC1OC(OC)C=CC1C
InChIInChI=1S/C9H16O2/c1-4-8-7(2)5-6-9(10-3)11-8/h5-9H,4H2,1-3H3
InChIKeyVJJZFMUKDLNKME-UHFFFAOYSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxy-3-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of 2-ethyl-6-methoxy-3-methyl-3,6-dihydro-2H-pyran (CID 20609708) is 2-ethyl-6-methoxy-3-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2-ethyl-6-methoxy-3-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 2-ethyl-6-methoxy-3-methyl-3,6-dihydro-2H-pyran is CCC1OC(OC)C=CC1C.
What is the InChIKey of 2-ethyl-6-methoxy-3-methyl-3,6-dihydro-2H-pyran?
The InChIKey is VJJZFMUKDLNKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-8-7(2)5-6-9(10-3)11-8/h5-9H,4H2,1-3H3.
What are the key properties of 2-ethyl-6-methoxy-3-methyl-3,6-dihydro-2H-pyran?
2-ethyl-6-methoxy-3-methyl-3,6-dihydro-2H-pyran has a molecular weight of 156.22 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxy-3-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 20609708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).