2,2-Dimethyltetrahydropyran-4-one
Properties
- Molecular formula
- C7H12O2
- Molar mass
- 128.17 g/mol
- Exact mass
- 128.0837 Da
- logP
- 1.14Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage97.4% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1194-16-7SMILES
CC1(CC(=O)CCO1)CInChIKey
BWMNOXJVRHGUQM-UHFFFAOYSA-NInChI
InChI=1S/C7H12O2/c1-7(2)5-6(8)3-4-9-7/h3-5H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2,2-Dimethyltetrahydropyran-4-one
Similar compounds
2,2,6,6-Tetramethyl-2H-3,5,6-trihydropyran-4-one1197-66-654 % similar
3,3-Dimethylcyclohexanone2979-19-339 % similar
Tetrahydro-4H-pyran-4-one29943-42-838 % similar
2,2-Dimethyl-1,3-dioxan-5-one74181-34-338 % similar
cis-Tetrahydro-3a,6a-dimethyl-2,5(1H,3H)-pentalenedione21170-10-537 % similar
1,4-Dioxaspiro[4.5]decan-8-one4746-97-837 % similar
3-(tert-Butoxy)propionic acid21150-73-236 % similar
3-Oxotetrahydrofuran22929-52-836 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.