4-ethyl-5,5-dimethyl-2H-furan

C8H14O — CID 163379860

IUPAC4-ethyl-5,5-dimethyl-2H-furan
SMILESCCC1=CCOC1(C)C
InChIInChI=1S/C8H14O/c1-4-7-5-6-9-8(7,2)3/h5H,4,6H2,1-3H3
InChIKeyMLAFWZXHHCEUTJ-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds1

About 4-ethyl-5,5-dimethyl-2H-furan

4-ethyl-5,5-dimethyl-2H-furan (PubChem CID 163379860) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-ethyl-5,5-dimethyl-2H-furan.

Molecular Properties

Compound Name4-ethyl-5,5-dimethyl-2H-furan
PubChem CID163379860
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name4-ethyl-5,5-dimethyl-2H-furan
SMILESCCC1=CCOC1(C)C
InChIInChI=1S/C8H14O/c1-4-7-5-6-9-8(7,2)3/h5H,4,6H2,1-3H3
InChIKeyMLAFWZXHHCEUTJ-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
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 4-ethyl-5,5-dimethyl-2H-furan?
The IUPAC name of 4-ethyl-5,5-dimethyl-2H-furan (CID 163379860) is 4-ethyl-5,5-dimethyl-2H-furan.
What is the SMILES notation for 4-ethyl-5,5-dimethyl-2H-furan?
The canonical SMILES for 4-ethyl-5,5-dimethyl-2H-furan is CCC1=CCOC1(C)C.
What is the InChIKey of 4-ethyl-5,5-dimethyl-2H-furan?
The InChIKey is MLAFWZXHHCEUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-4-7-5-6-9-8(7,2)3/h5H,4,6H2,1-3H3.
What are the key properties of 4-ethyl-5,5-dimethyl-2H-furan?
4-ethyl-5,5-dimethyl-2H-furan has a molecular weight of 126.20 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5,5-dimethyl-2H-furan is sourced from PubChem (CID 163379860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).