chempirical

Bicyclo[3.3.1]nonane-2,6-dione

C9H12O2CAS 16473-11-3152.19 g/mol

Open in Covalent MOL file
OO
Ketone

Properties

Molecular formula
C9H12O2
Molar mass
152.19 g/mol
Exact mass
152.0837 Da
logP
1.33Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
16473-11-3
SMILES
C1CC(=O)C2CCC(=O)C1C2
InChIKey
QWNPVTXLBMSEPN-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O2/c10-8-3-1-6-5-7(8)2-4-9(6)11/h6-7H,1-5H2

Weigh it out

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

Work with Bicyclo[3.3.1]nonane-2,6-dione

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

Norcamphor497-38-146 % similar 9-Thiabicyclo(3.3.1)nonane-2,6-dione37918-35-743 % similar 2-Hexylcyclopentanone13074-65-238 % similar 2-Heptylcyclopentanone137-03-138 % similar 1,3-Cyclopentanedicarboxylic acid4056-78-438 % similar 2-Allylcyclohexanone94-66-637 % similar 2-Oxocyclohexanepropanenitrile4594-78-935 % similar 2-Methyl-1,3-cyclopentanedione765-69-535 % similar

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

Same formula

3-(4-Hydroxyphenyl)-1-propanol10210-17-0 Ketoisophorone1125-21-9 Benzaldehyde dimethyl acetal1125-88-8 2-(3-Methylphenoxy)ethanol13605-19-1 2-Phenyl-1,3-propanediol1570-95-2 (S)-1-(4-Methoxyphenyl)ethanol1572-97-0 (R)-(-)-2-Methoxy-2-phenylethanol17628-72-7 4-Propoxyphenol18979-50-5

Elsewhere

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