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

C7H12O — CID 13166770

IUPAC3-ethyl-3,6-dihydro-2H-pyran
SMILESCCC1C=CCOC1
InChIInChI=1S/C7H12O/c1-2-7-4-3-5-8-6-7/h3-4,7H,2,5-6H2,1H3
InChIKeyBIHUMSFOHBASKV-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.60
Rot. Bonds1

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

3-ethyl-3,6-dihydro-2H-pyran (PubChem CID 13166770) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 3-ethyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name3-ethyl-3,6-dihydro-2H-pyran
PubChem CID13166770
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name3-ethyl-3,6-dihydro-2H-pyran
SMILESCCC1C=CCOC1
InChIInChI=1S/C7H12O/c1-2-7-4-3-5-8-6-7/h3-4,7H,2,5-6H2,1H3
InChIKeyBIHUMSFOHBASKV-UHFFFAOYSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-ethyl-3,6-dihydro-2H-pyran?
The IUPAC name of 3-ethyl-3,6-dihydro-2H-pyran (CID 13166770) is 3-ethyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 3-ethyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 3-ethyl-3,6-dihydro-2H-pyran is CCC1C=CCOC1.
What is the InChIKey of 3-ethyl-3,6-dihydro-2H-pyran?
The InChIKey is BIHUMSFOHBASKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-2-7-4-3-5-8-6-7/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 3-ethyl-3,6-dihydro-2H-pyran?
3-ethyl-3,6-dihydro-2H-pyran has a molecular weight of 112.17 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 13166770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).