(2R)-2-butyl-2H-furan-5-one

C8H12O2 — CID 11768656

IUPAC(2R)-2-butyl-2H-furan-5-one
SMILESCCCC[C@@H]1C=CC(=O)O1
InChIInChI=1S/C8H12O2/c1-2-3-4-7-5-6-8(9)10-7/h5-7H,2-4H2,1H3/t7-/m1/s1
InChIKeyKGJZBUMJSZTLTA-SSDOTTSWSA-N
MW140.18 g/mol
LogP1.66
Rot. Bonds3

About (2R)-2-butyl-2H-furan-5-one

(2R)-2-butyl-2H-furan-5-one (PubChem CID 11768656) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (2R)-2-butyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-butyl-2H-furan-5-one
PubChem CID11768656
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(2R)-2-butyl-2H-furan-5-one
SMILESCCCC[C@@H]1C=CC(=O)O1
InChIInChI=1S/C8H12O2/c1-2-3-4-7-5-6-8(9)10-7/h5-7H,2-4H2,1H3/t7-/m1/s1
InChIKeyKGJZBUMJSZTLTA-SSDOTTSWSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxy-2-pentenoic acid gamma-lactone
CID 11558
Ethyl (E)-2-heptenoate
CID 5358363
2-Nonenoic acid gamma-lactone
CID 89559
Ethyl trans-2-hexenoate
CID 5364778
Massoia Lactone
CID 642793
5-HYDROXY-2-DODECENOIC ACID delta-LACTONE
CID 61834
Hexyl 2-hexenoate, (2E)-
CID 6435861
5-ethyl-2(5H)-furanone
CID 16997
Ethyl 2-octenoate, (2E)-
CID 5364399
Butyl 2-decenoate
CID 5463906
5-hexylfuran-2(5H)-one
CID 102833
(+-)-Massoia lactone
CID 39914

Frequently Asked Questions

What is the IUPAC name of (2R)-2-butyl-2H-furan-5-one?
The IUPAC name of (2R)-2-butyl-2H-furan-5-one (CID 11768656) is (2R)-2-butyl-2H-furan-5-one.
What is the SMILES notation for (2R)-2-butyl-2H-furan-5-one?
The canonical SMILES for (2R)-2-butyl-2H-furan-5-one is CCCC[C@@H]1C=CC(=O)O1.
What is the InChIKey of (2R)-2-butyl-2H-furan-5-one?
The InChIKey is KGJZBUMJSZTLTA-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-3-4-7-5-6-8(9)10-7/h5-7H,2-4H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-2-butyl-2H-furan-5-one?
(2R)-2-butyl-2H-furan-5-one has a molecular weight of 140.18 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-butyl-2H-furan-5-one is sourced from PubChem (CID 11768656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).