chempirical

(3aR,6aS)-3,3a,6,6a-tetrahydro-2H-cyclopenta(b)furan-2-one

C7H8O2CAS 43119-28-4124.14 g/mol

Open in Covalent MOL file
OO
AlkeneEsterLactone

Properties

Molecular formula
C7H8O2
Molar mass
124.14 g/mol
Exact mass
124.0524 Da
Melting point
46.5 °C
logP
0.88Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0
Stereocentres
R, Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 4 ECHA notifiers. Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
43119-28-4
SMILES
O=C1C[C@@H]2C=CC[C@@H]2O1
InChIKey
RYBPGUMSFWGGLP-WDSKDSINSA-N
InChI
InChI=1S/C7H8O2/c8-7-4-5-2-1-3-6(5)9-7/h1-2,5-6H,3-4H2/t5-,6-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • (3Ar,6as)-3,3A,6,6A-tetrahydro-2H-cyclopenta[B]furan-2-one
  • 2H-Cyclopenta[b]furan-2-one, 3,3a,6,6a-tetrahydro-, (3aR,6aS)-
  • 2H-Cyclopenta[b]furan-2-one, 3,3a,6,6a-tetrahydro-, (3aR-cis)-
  • (1S,5R)-2-Oxabicyclo[3.3.0]oct-6-en-3-one
  • (-)-(1S,5R)-2-Oxabicyclo[3.3.0]oct-6-en-3-one
  • (3aR,6aS)-3,3a,6,6a-Tetrahydrocyclopenta[b]furan-2-one

Work with (3aR,6aS)-3,3a,6,6a-tetrahydro-2H-cyclopenta(b)furan-2-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(+/-)-cis-Bicyclo[3.2.0]hept-2-en-6-one13173-09-641 % similar Tricyclodecenyl propionate17511-60-337 % similar 2-Deoxy-D-ribono-1,4-lactone34371-14-737 % similar Beta-BUTYROLACTONE3068-88-035 % similar 5-Butyl-4-methyldihydro-2(3H)-furanone39212-23-233 % similar Isocitric acid lactone4702-32-333 % similar (3aR,4S,5R,6aS)-Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one32233-40-233 % similar (3Ar,4S,5R,6as)-hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[B]furan-2-one54423-47-133 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,6-Dimethyl-γ-pyrone1004-36-0 2-Acetyl-5-methylfuran1193-79-9 3-Methoxyphenol150-19-6 4-Methoxyphenol150-76-5 5-Ethyl-2-furaldehyde23074-10-4 4-Methylcatechol452-86-8 2,5-Cyclohexadiene-1-carboxylic acid4794-04-1 3-Methylcatechol488-17-5

Elsewhere

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