4-[1-(4-ethyl-2,5-dihydrofuran-2-yl)propan-2-yl]-3,6-dihydro-2H-pyran

C14H22O2 — CID 155484975

IUPAC4-[1-(4-ethyl-2,5-dihydrofuran-2-yl)propan-2-yl]-3,6-dihydro-2H-pyran
SMILESCCC1=CC(CC(C)C2=CCOCC2)OC1
InChIInChI=1S/C14H22O2/c1-3-12-9-14(16-10-12)8-11(2)13-4-6-15-7-5-13/h4,9,11,14H,3,5-8,10H2,1-2H3
InChIKeyLZJBIYNQVGNZDY-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.09
Rot. Bonds4

About 4-[1-(4-ethyl-2,5-dihydrofuran-2-yl)propan-2-yl]-3,6-dihydro-2H-pyran

4-[1-(4-ethyl-2,5-dihydrofuran-2-yl)propan-2-yl]-3,6-dihydro-2H-pyran (PubChem CID 155484975) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-[1-(4-ethyl-2,5-dihydrofuran-2-yl)propan-2-yl]-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4-[1-(4-ethyl-2,5-dihydrofuran-2-yl)propan-2-yl]-3,6-dihydro-2H-pyran
PubChem CID155484975
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name4-[1-(4-ethyl-2,5-dihydrofuran-2-yl)propan-2-yl]-3,6-dihydro-2H-pyran
SMILESCCC1=CC(CC(C)C2=CCOCC2)OC1
InChIInChI=1S/C14H22O2/c1-3-12-9-14(16-10-12)8-11(2)13-4-6-15-7-5-13/h4,9,11,14H,3,5-8,10H2,1-2H3
InChIKeyLZJBIYNQVGNZDY-UHFFFAOYSA-N
XLogP3.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.09
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 4-[1-(4-ethyl-2,5-dihydrofuran-2-yl)propan-2-yl]-3,6-dihydro-2H-pyran?
The IUPAC name of 4-[1-(4-ethyl-2,5-dihydrofuran-2-yl)propan-2-yl]-3,6-dihydro-2H-pyran (CID 155484975) is 4-[1-(4-ethyl-2,5-dihydrofuran-2-yl)propan-2-yl]-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4-[1-(4-ethyl-2,5-dihydrofuran-2-yl)propan-2-yl]-3,6-dihydro-2H-pyran?
The canonical SMILES for 4-[1-(4-ethyl-2,5-dihydrofuran-2-yl)propan-2-yl]-3,6-dihydro-2H-pyran is CCC1=CC(CC(C)C2=CCOCC2)OC1.
What is the InChIKey of 4-[1-(4-ethyl-2,5-dihydrofuran-2-yl)propan-2-yl]-3,6-dihydro-2H-pyran?
The InChIKey is LZJBIYNQVGNZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-12-9-14(16-10-12)8-11(2)13-4-6-15-7-5-13/h4,9,11,14H,3,5-8,10H2,1-2H3.
What are the key properties of 4-[1-(4-ethyl-2,5-dihydrofuran-2-yl)propan-2-yl]-3,6-dihydro-2H-pyran?
4-[1-(4-ethyl-2,5-dihydrofuran-2-yl)propan-2-yl]-3,6-dihydro-2H-pyran has a molecular weight of 222.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-ethyl-2,5-dihydrofuran-2-yl)propan-2-yl]-3,6-dihydro-2H-pyran is sourced from PubChem (CID 155484975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).