3-Undecanone
Properties
- Molecular formula
- C11H22O
- Molar mass
- 170.30 g/mol
- Exact mass
- 170.1671 Da
- Density
- 0.8272 g/mL (at 20 °C)
- Melting point
- 12 °C
- Boiling point
- 227 °C
- logP
- 3.72Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 8
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H317 May cause an allergic skin reaction100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
- H411 Toxic to aquatic life with long lasting effects100% of notifiers
Aggregated from 104 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
2216-87-7SMILES
CCCCCCCCC(=O)CCInChIKey
YNMZZHPSYMOGCI-UHFFFAOYSA-NInChI
InChI=1S/C11H22O/c1-3-5-6-7-8-9-10-11(12)4-2/h3-10H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- Ethyl octyl ketone
- NSC 158429
Work with 3-Undecanone
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
Dodecan-3-one1534-27-6100 % similar
3-Hexadecanone18787-64-9100 % similar
3-Nonanone925-78-0100 % similar
3-Decanone928-80-3100 % similar
3-Octanone106-68-395 % similar
3-Heptanone106-35-482 % similar
11-Heneicosanone19781-72-777 % similar
Hexyl ketone462-18-077 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds