Diethyl 1,1-cyclobutanedicarboxylate
Properties
- Molecular formula
- C10H16O4
- Molar mass
- 200.23 g/mol
- Exact mass
- 200.1049 Da
- Density
- 1.035 g/mL (at 420 °C)
- Boiling point
- 224 °C
- logP
- 1.28Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation28.6% of notifiers
- H319 Causes serious eye irritation28.6% of notifiers
- H335 May cause respiratory irritation28.6% of notifiers
Aggregated from 7 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
3779-29-1SMILES
CCOC(=O)C1(C(=O)OCC)CCC1InChIKey
JPNJEJSZSMXWSV-UHFFFAOYSA-NInChI
InChI=1S/C10H16O4/c1-3-13-8(11)10(6-5-7-10)9(12)14-4-2/h3-7H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- 1,1-Cyclobutanedicarboxylic acid, 1,1-diethyl ester
- 1,1-Cyclobutanedicarboxylic acid, diethyl ester
- NSC 9017
- 1,1-Diethyl cyclobutane-1,1-dicarboxylate
Reactions
Work with Diethyl 1,1-cyclobutanedicarboxylate
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 cyclopropane-1,1-dicarboxylate1559-02-083 % similar
Diethyl dibutylmalonate596-75-881 % similar
1,3-Diethyl 2,2-dipropylpropanedioate6065-63-073 % similar
Diethylmalonic acid diethyl ester77-25-865 % similar
Ethyl 1-acetylcyclopropanecarboxylate32933-03-262 % similar
Ethyl 1-bromocyclobutanecarboxylate35120-18-462 % similar
Diethyl bis(2-cyanoethyl)malonate1444-05-961 % similar
Diethyl bis(hydroxymethyl)malonate20605-01-061 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds
Same formula
4-(2-Oxiranylmethoxy)butyl 2-propenoate119692-59-0
d-Camphoric acid124-83-4
3,3,6,6-Tetramethoxycyclohexa-1,4-diene15791-03-4
1,4-Cyclohexanedione bis(ethylene ketal)183-97-1
Diethyl allylmalonate2049-80-1
1,4-Dipropyl (2Z)-2-butenedioate2432-63-5
Ethyl 4-acetyl-5-oxohexanoate2832-10-2
1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-2