2-ethyl-5-methyl-4-[(2-methylpropan-2-yl)oxy]furan-3-one

C11H18O3 — CID 21465693

IUPAC2-ethyl-5-methyl-4-[(2-methylpropan-2-yl)oxy]furan-3-one
SMILESCCC1OC(C)=C(OC(C)(C)C)C1=O
InChIInChI=1S/C11H18O3/c1-6-8-9(12)10(7(2)13-8)14-11(3,4)5/h8H,6H2,1-5H3
InChIKeyPWPUGIXRADMBOR-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.41
Rot. Bonds2

About 2-ethyl-5-methyl-4-[(2-methylpropan-2-yl)oxy]furan-3-one

2-ethyl-5-methyl-4-[(2-methylpropan-2-yl)oxy]furan-3-one (PubChem CID 21465693) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-ethyl-5-methyl-4-[(2-methylpropan-2-yl)oxy]furan-3-one.

Molecular Properties

Compound Name2-ethyl-5-methyl-4-[(2-methylpropan-2-yl)oxy]furan-3-one
PubChem CID21465693
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-ethyl-5-methyl-4-[(2-methylpropan-2-yl)oxy]furan-3-one
SMILESCCC1OC(C)=C(OC(C)(C)C)C1=O
InChIInChI=1S/C11H18O3/c1-6-8-9(12)10(7(2)13-8)14-11(3,4)5/h8H,6H2,1-5H3
InChIKeyPWPUGIXRADMBOR-UHFFFAOYSA-N
XLogP2.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-4-[(2-methylpropan-2-yl)oxy]furan-3-one?
The IUPAC name of 2-ethyl-5-methyl-4-[(2-methylpropan-2-yl)oxy]furan-3-one (CID 21465693) is 2-ethyl-5-methyl-4-[(2-methylpropan-2-yl)oxy]furan-3-one.
What is the SMILES notation for 2-ethyl-5-methyl-4-[(2-methylpropan-2-yl)oxy]furan-3-one?
The canonical SMILES for 2-ethyl-5-methyl-4-[(2-methylpropan-2-yl)oxy]furan-3-one is CCC1OC(C)=C(OC(C)(C)C)C1=O.
What is the InChIKey of 2-ethyl-5-methyl-4-[(2-methylpropan-2-yl)oxy]furan-3-one?
The InChIKey is PWPUGIXRADMBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-6-8-9(12)10(7(2)13-8)14-11(3,4)5/h8H,6H2,1-5H3.
What are the key properties of 2-ethyl-5-methyl-4-[(2-methylpropan-2-yl)oxy]furan-3-one?
2-ethyl-5-methyl-4-[(2-methylpropan-2-yl)oxy]furan-3-one has a molecular weight of 198.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-4-[(2-methylpropan-2-yl)oxy]furan-3-one is sourced from PubChem (CID 21465693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).