1-(2,3-dihydrofuran-5-yl)-2-ethoxy-2-methylbutan-1-one

C11H18O3 — CID 102651126

IUPAC1-(2,3-dihydrofuran-5-yl)-2-ethoxy-2-methylbutan-1-one
SMILESCCOC(C)(CC)C(=O)C1=CCCO1
InChIInChI=1S/C11H18O3/c1-4-11(3,14-5-2)10(12)9-7-6-8-13-9/h7H,4-6,8H2,1-3H3
InChIKeyKPOWDUSPJJCSPG-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.06
Rot. Bonds5

About 1-(2,3-dihydrofuran-5-yl)-2-ethoxy-2-methylbutan-1-one

1-(2,3-dihydrofuran-5-yl)-2-ethoxy-2-methylbutan-1-one (PubChem CID 102651126) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2-ethoxy-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2-ethoxy-2-methylbutan-1-one
PubChem CID102651126
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2-ethoxy-2-methylbutan-1-one
SMILESCCOC(C)(CC)C(=O)C1=CCCO1
InChIInChI=1S/C11H18O3/c1-4-11(3,14-5-2)10(12)9-7-6-8-13-9/h7H,4-6,8H2,1-3H3
InChIKeyKPOWDUSPJJCSPG-UHFFFAOYSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-methylbutan-1-one
CID 102651010
3-amino-1-(2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-one
CID 102652579
2-amino-1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 102652553
N-(2-methylbutan-2-yl)-2,3-dihydrofuran-5-carboxamide
CID 130684532
2-ethoxy-2-methyl-1-phenylbutan-1-one
CID 116746857
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 102646939
1-(2,3-dihydrofuran-5-yl)-2-methoxyethanone
CID 102650887
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one
CID 102648313
1-(3,4-dihydro-2H-pyran-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 102648692
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3,3-dimethylbutan-1-one
CID 102647045
1-(3-bromo-2,6-difluorophenyl)-2-ethoxy-2-methylbutan-1-one
CID 106941867
2-ethoxy-1-(2-ethoxyphenyl)-2-methylbutan-1-one
CID 116746823

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-ethoxy-2-methylbutan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-ethoxy-2-methylbutan-1-one (CID 102651126) is 1-(2,3-dihydrofuran-5-yl)-2-ethoxy-2-methylbutan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2-ethoxy-2-methylbutan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2-ethoxy-2-methylbutan-1-one is CCOC(C)(CC)C(=O)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2-ethoxy-2-methylbutan-1-one?
The InChIKey is KPOWDUSPJJCSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-4-11(3,14-5-2)10(12)9-7-6-8-13-9/h7H,4-6,8H2,1-3H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2-ethoxy-2-methylbutan-1-one?
1-(2,3-dihydrofuran-5-yl)-2-ethoxy-2-methylbutan-1-one has a molecular weight of 198.26 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-2-ethoxy-2-methylbutan-1-one is sourced from PubChem (CID 102651126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).