1,6-Di-2-propen-1-yl hexanedioate
Properties
- Molecular formula
- C12H18O4
- Molar mass
- 226.27 g/mol
- Exact mass
- 226.1205 Da
- Density
- 1.0235 g/mL (at 20 °C)
- Boiling point
- 125–126 °C
- logP
- 2.01Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 9
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
2998-04-1SMILES
C=CCOC(=O)CCCCC(=O)OCC=CInChIKey
FPODCVUTIPDRTE-UHFFFAOYSA-NInChI
InChI=1S/C12H18O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-4H,1-2,5-10H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Hexanedioic acid, 1,6-di-2-propen-1-yl ester
- Adipic acid, diallyl ester
- Hexanedioic acid, di-2-propenyl ester
- Diallyl adipate
- Allyl adipate
- NSC 20973
- Diallyl hexanedioate
Work with 1,6-Di-2-propen-1-yl hexanedioate
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
Allyl hexanoate123-68-279 % similar
Allyl heptanoate142-19-876 % similar
Allyl butyrate2051-78-768 % similar
Allyl cyclohexanepropionate2705-87-565 % similar
Allyl propionate2408-20-061 % similar
2-Propen-1-yl 2-chloroacetate2916-14-561 % similar
Ethyl 10-undecenoate692-86-456 % similar
Allyl acetoacetate1118-84-955 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds