5-ethoxy-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran

C11H20O2 — CID 67917175

IUPAC5-ethoxy-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran
SMILESCCOC1=COC(CC)C(C)C1C
InChIInChI=1S/C11H20O2/c1-5-10-8(3)9(4)11(7-13-10)12-6-2/h7-10H,5-6H2,1-4H3
InChIKeyWTUBCDBAVCUXTC-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.95
Rot. Bonds3

About 5-ethoxy-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran

5-ethoxy-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran (PubChem CID 67917175) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-ethoxy-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-ethoxy-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran
PubChem CID67917175
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name5-ethoxy-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran
SMILESCCOC1=COC(CC)C(C)C1C
InChIInChI=1S/C11H20O2/c1-5-10-8(3)9(4)11(7-13-10)12-6-2/h7-10H,5-6H2,1-4H3
InChIKeyWTUBCDBAVCUXTC-UHFFFAOYSA-N
XLogP2.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran?
The IUPAC name of 5-ethoxy-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran (CID 67917175) is 5-ethoxy-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-ethoxy-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-ethoxy-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran is CCOC1=COC(CC)C(C)C1C.
What is the InChIKey of 5-ethoxy-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran?
The InChIKey is WTUBCDBAVCUXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-10-8(3)9(4)11(7-13-10)12-6-2/h7-10H,5-6H2,1-4H3.
What are the key properties of 5-ethoxy-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran?
5-ethoxy-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran has a molecular weight of 184.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 67917175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).