chempirical

(±)-Dihydroactinidiolide

C11H16O2CAS 15356-74-8180.25 g/mol

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OO
AlkeneEsterLactone

Properties

Molecular formula
C11H16O2
Molar mass
180.25 g/mol
Exact mass
180.1150 Da
Melting point
40–41 °C
Boiling point
63 °C (at 0.01 Torr)
logP
2.44Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
15356-74-8
SMILES
CC1(C)CCCC2(C)OC(=O)C=C12
InChIKey
IMKHDCBNRDRUEB-UHFFFAOYSA-N
InChI
InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3

Weigh it out

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

Names and synonyms

12 names
  • Dihydroactinidiolide, (+-)-
  • 5,6,7,7A-Tetrahydro-4,4,7A-trimethyl-2(4H)-benzofuranone
  • 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-
  • 2-Hydroxy-2,6,6-trimethylcyclohexylidene-1-acetic acid lactone
  • (2,6,6-Trimethyl-2-hydroxycyclohexylidene)acetic acid lactone
  • 2,4,5,6,7,7a-Hexahydro-4,4,7a-trimethylbenzofuran-2-one
  • 4,5,7,7a-Tetrahydro-4,4,7a-trimethyl-2(6H)-benzofuranone
  • 9-Oxa-1,5,5-trimethylbicyclo[4.3.0]non-6-en-8-one
  • Dihydroactinolide
  • Dihydroactindiolide
  • 5,8,7,7-Tetrahydro-4,4,7a-trimethyl-α-benzofuranone
  • 5,6,7,7α-Tetrahydro-4,4,7α-trimethyl-2(4H)-benzofuranone

Work with (±)-Dihydroactinidiolide

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Dihydroactinidiolide17092-92-1Defined stereoisomer

Similar compounds

1-Methylcyclopentyl prop-2-enoate178889-49-138 % similar 2,2,6,6-Tetramethylpimelic acid2941-45-936 % similar Ethyl 4,4,4-trifluoro-3-(trifluoromethyl)crotonate1513-60-634 % similar 2,2-Dimethylcyclopentanone4541-32-633 % similar 2,2,6-Trimethyl-4H-1,3-dioxin-4-one5394-63-833 % similar Ethyl cyclohexylideneacetate1552-92-732 % similar β-Cyclocitral432-25-731 % similar 1-Methylcyclopentyl methacrylate178889-45-730 % similar

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

Same formula

Butylated hydroxyanisole121-00-6 Butylated hydroxyanisole25013-16-5 Olivetol500-66-3 (2E,4E,6Z)-Methyl deca-2,4,6-trienoate51544-64-0 4-Methoxybenzenebutanol52244-70-9 4-Butoxybenzenemethanol6214-45-5 (Diethoxymethyl)benzene774-48-1

Elsewhere

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