2,6-Dimethyl-2-heptanol
Properties
- Molecular formula
- C9H20O
- Molar mass
- 144.26 g/mol
- Exact mass
- 144.1514 Da
- Boiling point
- 173 °C
- logP
- 2.58Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation99.8% of notifiers
- H319 Causes serious eye irritation99.8% of notifiers
Aggregated from 1,853 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364
Identifiers
CAS number
13254-34-7SMILES
CC(C)CCCC(C)(C)OInChIKey
HGDVHRITTGWMJK-UHFFFAOYSA-NInChI
InChI=1S/C9H20O/c1-8(2)6-5-7-9(3,4)10/h8,10H,5-7H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 2-Heptanol, 2,6-dimethyl-
- Freesiol
- Dimetol
- 2,6-Dimethyl-heptane-2-ol
Work with 2,6-Dimethyl-2-heptanol
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
Similar compounds
2,5-Dimethyl-2-hexanol3730-60-777 % similar
3,7-Dimethyl-1,7-octanediol107-74-455 % similar
Tetrahydrolinalool78-69-355 % similar
2,6-Dimethyl-7-octen-2-ol18479-58-853 % similar
Dihydromyrcenol53219-21-953 % similar
Heptaminol hydrochloride543-15-753 % similar
2,5-Dimethyl-2,5-hexanediol110-03-252 % similar
Hydroxycitronellal107-75-550 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds