chempirical

Dihydroactinidiolide

C11H16O2CAS 17092-92-1180.25 g/mol

Open in Covalent MOL file
OO
AlkeneEsterLactone

Properties

Molecular formula
C11H16O2
Molar mass
180.25 g/mol
Exact mass
180.1150 Da
Density
1.051–1.058 g/mL
Melting point
40–41 °C
Boiling point
90 °C
logP
2.44Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0
Stereocentres
Rin SMILES atom order

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 139 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
17092-92-1
SMILES
CC1(C)CCC[C@@]2(C)OC(=O)C=C12
InChIKey
IMKHDCBNRDRUEB-LLVKDONJSA-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/t11-/m1/s1

Weigh it out

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

Names and synonyms

10 names
  • 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (7aR)-
  • 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-
  • 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (R)-
  • (7aR)-5,6,7,7a-Tetrahydro-4,4,7a-trimethyl-2(4H)-benzofuranone
  • Actinidiolide, dihydro-
  • (-)-Dihydroactinidiolide
  • (R)-Dihydroactinidiolide
  • NSC 357087
  • (7AR)-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-one
  • (R)-5,6,7,7a-Tetrahydro-4,4,7a-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 Boiling point under vacuumAt any pressure, from its normal boiling point 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.

(±)-Dihydroactinidiolide15356-74-8Stereo not defined

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 Beta-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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