Diethyl pimelate
Properties
- Molecular formula
- C11H20O4
- Molar mass
- 216.28 g/mol
- Exact mass
- 216.1362 Da
- Density
- 0.991–0.996 g/mL (at 20 °C)
- Melting point
- −24 °C
- Boiling point
- 254 °C
- logP
- 2.06Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 8
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the 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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
2050-20-6SMILES
CCOC(=O)CCCCCC(=O)OCCInChIKey
LKKOGZVQGQUVHF-UHFFFAOYSA-NInChI
InChI=1S/C11H20O4/c1-3-14-10(12)8-6-5-7-9-11(13)15-4-2/h3-9H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Heptanedioic acid, 1,7-diethyl ester
- Pimelic acid, diethyl ester
- Heptanedioic acid, diethyl ester
- Diethyl heptanedioate
- NSC 17503
Work with Diethyl pimelate
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
Diethyl sebacate110-40-7100 % similar
Diethyl suberate2050-23-9100 % similar
Diethyl azelate624-17-9100 % similar
Diethyl adipate141-28-695 % similar
Diethyl glutarate818-38-290 % similar
Ethyl heptanoate106-30-983 % similar
Ethyl octanoate106-32-183 % similar
Ethyl dodecanoate106-33-283 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds