2-butan-2-yl-4-butan-2-yloxy-5-ethyl-2-methylfuran-3-one

C15H26O3 — CID 21465665

IUPAC2-butan-2-yl-4-butan-2-yloxy-5-ethyl-2-methylfuran-3-one
SMILESCCC1=C(OC(C)CC)C(=O)C(C)(C(C)CC)O1
InChIInChI=1S/C15H26O3/c1-7-10(4)15(6)14(16)13(12(9-3)18-15)17-11(5)8-2/h10-11H,7-9H2,1-6H3
InChIKeyYFWLJIPXRLCSKT-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.83
Rot. Bonds6

About 2-butan-2-yl-4-butan-2-yloxy-5-ethyl-2-methylfuran-3-one

2-butan-2-yl-4-butan-2-yloxy-5-ethyl-2-methylfuran-3-one (PubChem CID 21465665) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-butan-2-yl-4-butan-2-yloxy-5-ethyl-2-methylfuran-3-one.

Molecular Properties

Compound Name2-butan-2-yl-4-butan-2-yloxy-5-ethyl-2-methylfuran-3-one
PubChem CID21465665
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name2-butan-2-yl-4-butan-2-yloxy-5-ethyl-2-methylfuran-3-one
SMILESCCC1=C(OC(C)CC)C(=O)C(C)(C(C)CC)O1
InChIInChI=1S/C15H26O3/c1-7-10(4)15(6)14(16)13(12(9-3)18-15)17-11(5)8-2/h10-11H,7-9H2,1-6H3
InChIKeyYFWLJIPXRLCSKT-UHFFFAOYSA-N
XLogP3.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4-oxo-5-propylfuran-3-olate
CID 25201144
(5E)-2-ethoxy-4-ethyl-5-ethylidenecyclopent-2-en-1-one
CID 134933023
5-Ethyl-2-methoxy-3,4-dimethyl-2-cyclopenten-1-one
CID 19871660
2-Methoxy-3,4,5-trimethyl-2-cyclopenten-1-one
CID 19871669
4-Hydroxy-5-methyl-2-(2-methylpropyl)furan-3-one
CID 20349954
2-Ethyl-5-methyl-4-propoxy-2-propylfuran-3-one
CID 21465649
2-Ethyl-5-methyl-4-[(2-methylpropan-2-yl)oxy]furan-3-one
CID 21465693
5-Ethyl-2-methyl-4-propoxy-2-propylfuran-3-one
CID 21465694
2-Ethyl-5-methyl-2-propan-2-yl-4-propan-2-yloxyfuran-3-one
CID 21465696
2-Ethyl-4-hexoxy-5-methylfuran-3-one
CID 21465698
5-Ethyl-2-methyl-4-(3-methylbutoxy)-2-(3-methylbutyl)furan-3-one
CID 21465701
5-Ethyl-2-methyl-2-propan-2-yl-4-propan-2-yloxyfuran-3-one
CID 21465725

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-butan-2-yloxy-5-ethyl-2-methylfuran-3-one?
The IUPAC name of 2-butan-2-yl-4-butan-2-yloxy-5-ethyl-2-methylfuran-3-one (CID 21465665) is 2-butan-2-yl-4-butan-2-yloxy-5-ethyl-2-methylfuran-3-one.
What is the SMILES notation for 2-butan-2-yl-4-butan-2-yloxy-5-ethyl-2-methylfuran-3-one?
The canonical SMILES for 2-butan-2-yl-4-butan-2-yloxy-5-ethyl-2-methylfuran-3-one is CCC1=C(OC(C)CC)C(=O)C(C)(C(C)CC)O1.
What is the InChIKey of 2-butan-2-yl-4-butan-2-yloxy-5-ethyl-2-methylfuran-3-one?
The InChIKey is YFWLJIPXRLCSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-7-10(4)15(6)14(16)13(12(9-3)18-15)17-11(5)8-2/h10-11H,7-9H2,1-6H3.
What are the key properties of 2-butan-2-yl-4-butan-2-yloxy-5-ethyl-2-methylfuran-3-one?
2-butan-2-yl-4-butan-2-yloxy-5-ethyl-2-methylfuran-3-one has a molecular weight of 254.37 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-butan-2-yloxy-5-ethyl-2-methylfuran-3-one is sourced from PubChem (CID 21465665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).