2,5-dimethyl-2-(3-oxobutyl)furan-3-one

C10H14O3 — CID 15273947

IUPAC2,5-dimethyl-2-(3-oxobutyl)furan-3-one
SMILESCC(=O)CCC1(C)OC(C)=CC1=O
InChIInChI=1S/C10H14O3/c1-7(11)4-5-10(3)9(12)6-8(2)13-10/h6H,4-5H2,1-3H3
InChIKeyWEGFTQFOOLRZAN-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.62
Rot. Bonds3

About 2,5-dimethyl-2-(3-oxobutyl)furan-3-one

2,5-dimethyl-2-(3-oxobutyl)furan-3-one (PubChem CID 15273947) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2,5-dimethyl-2-(3-oxobutyl)furan-3-one.

Molecular Properties

Compound Name2,5-dimethyl-2-(3-oxobutyl)furan-3-one
PubChem CID15273947
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2,5-dimethyl-2-(3-oxobutyl)furan-3-one
SMILESCC(=O)CCC1(C)OC(C)=CC1=O
InChIInChI=1S/C10H14O3/c1-7(11)4-5-10(3)9(12)6-8(2)13-10/h6H,4-5H2,1-3H3
InChIKeyWEGFTQFOOLRZAN-UHFFFAOYSA-N
XLogP1.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-1-oxaspiro[4.5]dec-2-en-4-one
CID 12671964
2,5-Dimethyl-2-pent-4-enylfuran-3-one
CID 85974375
2-Hex-5-enyl-2,5-dimethylfuran-3-one
CID 145994768
3-(2,5-Dimethyl-3-oxofuran-2-yl)propanal
CID 146018830
2-(2-Hydroxy-3-oxobutyl)-2,5-dimethylfuran-3-one
CID 18780368
7-Methyl-6-oxaspiro[4.5]dec-7-en-10-one
CID 143146991
2-Ethyl-5-hexyl-2-methylfuran-3-one
CID 12192333
2-Butyl-2,5-dimethylfuran-3-one
CID 12416267
2-Hexyl-2,5-dimethylfuran-3-one
CID 12416268
2-Methyl-1-oxaspiro[4.5]dec-2-ene-4,6-dione
CID 24977518
2-Pentyl-1-oxaspiro[4.4]non-2-en-4-one
CID 101420339
2-Cyclopropyl-1-oxaspiro[4.4]non-2-en-4-one
CID 101863609

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-(3-oxobutyl)furan-3-one?
The IUPAC name of 2,5-dimethyl-2-(3-oxobutyl)furan-3-one (CID 15273947) is 2,5-dimethyl-2-(3-oxobutyl)furan-3-one.
What is the SMILES notation for 2,5-dimethyl-2-(3-oxobutyl)furan-3-one?
The canonical SMILES for 2,5-dimethyl-2-(3-oxobutyl)furan-3-one is CC(=O)CCC1(C)OC(C)=CC1=O.
What is the InChIKey of 2,5-dimethyl-2-(3-oxobutyl)furan-3-one?
The InChIKey is WEGFTQFOOLRZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7(11)4-5-10(3)9(12)6-8(2)13-10/h6H,4-5H2,1-3H3.
What are the key properties of 2,5-dimethyl-2-(3-oxobutyl)furan-3-one?
2,5-dimethyl-2-(3-oxobutyl)furan-3-one has a molecular weight of 182.22 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-(3-oxobutyl)furan-3-one is sourced from PubChem (CID 15273947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).