Dimethyl suberate
Properties
- Molecular formula
- C10H18O4
- Molar mass
- 202.25 g/mol
- Exact mass
- 202.1205 Da
- Melting point
- −3.1 °C
- Boiling point
- 268 °C
- logP
- 1.67Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 7
Hazards
Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Identifiers
CAS number
1732-09-8SMILES
COC(=O)CCCCCCC(=O)OCInChIKey
LNLCRJXCNQABMV-UHFFFAOYSA-NInChI
InChI=1S/C10H18O4/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h3-8H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Octanedioic acid, 1,8-dimethyl ester
- Suberic acid, dimethyl ester
- Octanedioic acid, dimethyl ester
- Dimethyl octanedioate
- Dimethyl 1,8-octanedioate
Work with Dimethyl suberate
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
Dimethyl sebacate106-79-6100 % similar
Dimethyl octadecanedioate1472-93-1100 % similar
1,12-Dimethyl dodecanedioate1731-79-9100 % similar
Dimethyl pimelate1732-08-7100 % similar
Dimethyl azelate1732-10-1100 % similar
Dimethyladipate627-93-094 % similar
Rhodasolv RPDE NA95481-62-289 % similar
Dimethyl glutarate1119-40-089 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds