3-ethyl-5-methyl-3,4-dihydro-2H-pyran

C8H14O — CID 86086100

IUPAC3-ethyl-5-methyl-3,4-dihydro-2H-pyran
SMILESCCC1COC=C(C)C1
InChIInChI=1S/C8H14O/c1-3-8-4-7(2)5-9-6-8/h5,8H,3-4,6H2,1-2H3
InChIKeyJQRKGNLFOWGLQK-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.34
Rot. Bonds1

About 3-ethyl-5-methyl-3,4-dihydro-2H-pyran

3-ethyl-5-methyl-3,4-dihydro-2H-pyran (PubChem CID 86086100) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-ethyl-5-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name3-ethyl-5-methyl-3,4-dihydro-2H-pyran
PubChem CID86086100
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name3-ethyl-5-methyl-3,4-dihydro-2H-pyran
SMILESCCC1COC=C(C)C1
InChIInChI=1S/C8H14O/c1-3-8-4-7(2)5-9-6-8/h5,8H,3-4,6H2,1-2H3
InChIKeyJQRKGNLFOWGLQK-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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 3-ethyl-5-methyl-3,4-dihydro-2H-pyran (CID 86086100) is 3-ethyl-5-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 3-ethyl-5-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 3-ethyl-5-methyl-3,4-dihydro-2H-pyran is CCC1COC=C(C)C1.
What is the InChIKey of 3-ethyl-5-methyl-3,4-dihydro-2H-pyran?
The InChIKey is JQRKGNLFOWGLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-8-4-7(2)5-9-6-8/h5,8H,3-4,6H2,1-2H3.
What are the key properties of 3-ethyl-5-methyl-3,4-dihydro-2H-pyran?
3-ethyl-5-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 3-ethyl-5-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 86086100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).