5-ethyl-2-methyl-2-propan-2-yl-4-propan-2-yloxyfuran-3-one

C13H22O3 — CID 21465725

IUPAC5-ethyl-2-methyl-2-propan-2-yl-4-propan-2-yloxyfuran-3-one
SMILESCCC1=C(OC(C)C)C(=O)C(C)(C(C)C)O1
InChIInChI=1S/C13H22O3/c1-7-10-11(15-9(4)5)12(14)13(6,16-10)8(2)3/h8-9H,7H2,1-6H3
InChIKeyHIQOSPGVLQTFIN-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.05
Rot. Bonds4

About 5-ethyl-2-methyl-2-propan-2-yl-4-propan-2-yloxyfuran-3-one

5-ethyl-2-methyl-2-propan-2-yl-4-propan-2-yloxyfuran-3-one (PubChem CID 21465725) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-ethyl-2-methyl-2-propan-2-yl-4-propan-2-yloxyfuran-3-one.

Molecular Properties

Compound Name5-ethyl-2-methyl-2-propan-2-yl-4-propan-2-yloxyfuran-3-one
PubChem CID21465725
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name5-ethyl-2-methyl-2-propan-2-yl-4-propan-2-yloxyfuran-3-one
SMILESCCC1=C(OC(C)C)C(=O)C(C)(C(C)C)O1
InChIInChI=1S/C13H22O3/c1-7-10-11(15-9(4)5)12(14)13(6,16-10)8(2)3/h8-9H,7H2,1-6H3
InChIKeyHIQOSPGVLQTFIN-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-2-propan-2-yl-4-propan-2-yloxyfuran-3-one?
The IUPAC name of 5-ethyl-2-methyl-2-propan-2-yl-4-propan-2-yloxyfuran-3-one (CID 21465725) is 5-ethyl-2-methyl-2-propan-2-yl-4-propan-2-yloxyfuran-3-one.
What is the SMILES notation for 5-ethyl-2-methyl-2-propan-2-yl-4-propan-2-yloxyfuran-3-one?
The canonical SMILES for 5-ethyl-2-methyl-2-propan-2-yl-4-propan-2-yloxyfuran-3-one is CCC1=C(OC(C)C)C(=O)C(C)(C(C)C)O1.
What is the InChIKey of 5-ethyl-2-methyl-2-propan-2-yl-4-propan-2-yloxyfuran-3-one?
The InChIKey is HIQOSPGVLQTFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-7-10-11(15-9(4)5)12(14)13(6,16-10)8(2)3/h8-9H,7H2,1-6H3.
What are the key properties of 5-ethyl-2-methyl-2-propan-2-yl-4-propan-2-yloxyfuran-3-one?
5-ethyl-2-methyl-2-propan-2-yl-4-propan-2-yloxyfuran-3-one has a molecular weight of 226.32 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-2-propan-2-yl-4-propan-2-yloxyfuran-3-one is sourced from PubChem (CID 21465725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).