chempirical

Dibutyl tartrate

C12H22O6CAS 87-92-3262.30 g/mol

Open in Covalent MOL file
OOOHOHOO
AlcoholEster

Properties

Molecular formula
C12H22O6
Molar mass
262.30 g/mol
Exact mass
262.1416 Da
Melting point
22 °C
Boiling point
320 °C
logP
0.39Crippen estimate
Polar surface area
93.1 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
9
Stereocentres
R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
87-92-3
SMILES
CCCCOC(=O)[C@H](O)[C@@H](O)C(=O)OCCCC
InChIKey
PCYQQSKDZQTOQG-NXEZZACHSA-N
InChI
InChI=1S/C12H22O6/c1-3-5-7-17-11(15)9(13)10(14)12(16)18-8-6-4-2/h9-10,13-14H,3-8H2,1-2H3/t9-,10-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all
  • Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, 1,4-dibutyl ester
  • Tartaric acid, dibutyl ester
  • Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-, dibutyl ester
  • Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, dibutyl ester
  • ENT 396
  • Dibutyl L-(+)-tartrate
  • L-(+)-Tartaric acid dibutyl ester
  • (+)-Tartaric acid dibutyl ester
  • (+)-Dibutyl tartrate
  • (2R,3R)-Di-n-butyl tartrate
  • Dibutyl (R,R)-tartrate
  • Dibutyl L-tartrate
  • (2R,3R)-Dibutyl tartrate
  • Dibutyl (+)-L-tartrate
  • Di-n-butyl L-tartrate

Work with Dibutyl tartrate

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

n-Butyl lactate138-22-768 % similar Butyl (2S)-2-hydroxypropanoate34451-19-968 % similar Butyl (2S)-2-hydroxybutanoate132513-51-066 % similar Butyl isobutyrate97-87-063 % similar (-)-Diethyl tartrate13811-71-759 % similar Diethyl tartrate87-91-259 % similar Butyl 2-methyl butyrate15706-73-758 % similar Hexyl isobutyrate2349-07-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,6-Bis(2-methoxyethyl) hexanedioate106-00-3 1,2:5,6-Di-O-isopropylidene-D-mannitol1707-77-3

Elsewhere

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