2-(2-oxopentyl)-2H-furan-5-one

C9H12O3 — CID 177320268

IUPAC2-(2-oxopentyl)-2H-furan-5-one
SMILESCCCC(=O)CC1C=CC(=O)O1
InChIInChI=1S/C9H12O3/c1-2-3-7(10)6-8-4-5-9(11)12-8/h4-5,8H,2-3,6H2,1H3
InChIKeyVWFMLSAQEPJIIR-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.23
Rot. Bonds4

About 2-(2-oxopentyl)-2H-furan-5-one

2-(2-oxopentyl)-2H-furan-5-one (PubChem CID 177320268) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 2-(2-oxopentyl)-2H-furan-5-one.

Molecular Properties

Compound Name2-(2-oxopentyl)-2H-furan-5-one
PubChem CID177320268
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name2-(2-oxopentyl)-2H-furan-5-one
SMILESCCCC(=O)CC1C=CC(=O)O1
InChIInChI=1S/C9H12O3/c1-2-3-7(10)6-8-4-5-9(11)12-8/h4-5,8H,2-3,6H2,1H3
InChIKeyVWFMLSAQEPJIIR-UHFFFAOYSA-N
XLogP1.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Nonenoic acid gamma-lactone
CID 89559
5-hexylfuran-2(5H)-one
CID 102833
2-Crotonyloxymethyl-2-cyclohexenone
CID 6439061
(5-oxocyclopenten-1-yl)methyl (E)-but-2-enoate
CID 10397387
5-Octyl-2(5H)-furanone
CID 86623
5-Butylfuran-2(5H)-one
CID 121779
4-Oxocyclopent-2-en-1-yl acetate
CID 343117
(6E,10E,11aR)-3,6,10-trimethyl-5,8,9,11a-tetrahydrocyclodeca[b]furan-2,4-dione
CID 163012608
(4R)-4-(Acetyloxy)-2-cyclopenten-1-one
CID 9877391
2(5H)-Furanone, 5-heptyl-
CID 11041360
(R)-5-Tridecylfuran-2(5H)-one
CID 10423057
mollisolactone A
CID 54421891

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopentyl)-2H-furan-5-one?
The IUPAC name of 2-(2-oxopentyl)-2H-furan-5-one (CID 177320268) is 2-(2-oxopentyl)-2H-furan-5-one.
What is the SMILES notation for 2-(2-oxopentyl)-2H-furan-5-one?
The canonical SMILES for 2-(2-oxopentyl)-2H-furan-5-one is CCCC(=O)CC1C=CC(=O)O1.
What is the InChIKey of 2-(2-oxopentyl)-2H-furan-5-one?
The InChIKey is VWFMLSAQEPJIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-2-3-7(10)6-8-4-5-9(11)12-8/h4-5,8H,2-3,6H2,1H3.
What are the key properties of 2-(2-oxopentyl)-2H-furan-5-one?
2-(2-oxopentyl)-2H-furan-5-one has a molecular weight of 168.19 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopentyl)-2H-furan-5-one is sourced from PubChem (CID 177320268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).