3-ethyl-4-propan-2-yl-2H-furan-5-one

C9H14O2 — CID 148556247

IUPAC3-ethyl-4-propan-2-yl-2H-furan-5-one
SMILESCCC1=C(C(C)C)C(=O)OC1
InChIInChI=1S/C9H14O2/c1-4-7-5-11-9(10)8(7)6(2)3/h6H,4-5H2,1-3H3
InChIKeyMUCSNHUTFDRDPC-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.91
Rot. Bonds2

About 3-ethyl-4-propan-2-yl-2H-furan-5-one

3-ethyl-4-propan-2-yl-2H-furan-5-one (PubChem CID 148556247) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-ethyl-4-propan-2-yl-2H-furan-5-one.

Molecular Properties

Compound Name3-ethyl-4-propan-2-yl-2H-furan-5-one
PubChem CID148556247
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name3-ethyl-4-propan-2-yl-2H-furan-5-one
SMILESCCC1=C(C(C)C)C(=O)OC1
InChIInChI=1S/C9H14O2/c1-4-7-5-11-9(10)8(7)6(2)3/h6H,4-5H2,1-3H3
InChIKeyMUCSNHUTFDRDPC-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Ethyl-4-methyl-2,5-dihydrofuran-2,5-dione
CID 77091
Dimethyl 2-ethyl-3-methylmaleate
CID 5373405
3,4-Diethyl-2,5-furandione
CID 10464527
Dimethyl 2-ethyl-3-methylbut-2-enedioate
CID 593028
4-(Propan-2-yl)-2,5-dihydrofuran-2-one
CID 12588986
3-Ethylfuran-2(5H)-one
CID 12320138
2,5-Furandione, 3-(1-methylethyl)-
CID 522121
3-ethyl-4-methyl-5H-furan-2-one
CID 24975321
ethyl (E)-2-propan-2-ylbut-2-enoate
CID 10986488
Isopropylbutenolide
CID 12610605
diethyl (Z)-2-propan-2-ylbut-2-enedioate
CID 12644245
2-Butenoic acid, 2-ethyl-, ethyl ester, (E)-
CID 12914701

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-propan-2-yl-2H-furan-5-one?
The IUPAC name of 3-ethyl-4-propan-2-yl-2H-furan-5-one (CID 148556247) is 3-ethyl-4-propan-2-yl-2H-furan-5-one.
What is the SMILES notation for 3-ethyl-4-propan-2-yl-2H-furan-5-one?
The canonical SMILES for 3-ethyl-4-propan-2-yl-2H-furan-5-one is CCC1=C(C(C)C)C(=O)OC1.
What is the InChIKey of 3-ethyl-4-propan-2-yl-2H-furan-5-one?
The InChIKey is MUCSNHUTFDRDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-4-7-5-11-9(10)8(7)6(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 3-ethyl-4-propan-2-yl-2H-furan-5-one?
3-ethyl-4-propan-2-yl-2H-furan-5-one has a molecular weight of 154.21 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-propan-2-yl-2H-furan-5-one is sourced from PubChem (CID 148556247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).