Dlin-mc3-dma

C₄₃H₇₉NO₂CAS 1224606-06-7642.11 g/mol

Open in Covalent MOL file

Alkene Ester Tertiary amine

Properties

Molecular formula: C₄₃H₇₉NO₂
Molar mass: 642.11 g/mol
Exact mass: 641.6111 Da
logP: 13.65Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 35
Double bonds: Z, Z, Z, ZE/Z, in SMILES order

Identifiers

CAS number

1224606-06-7

SMILES

CCCCC/C=C\C/C=C\CCCCCCCCC(OC(=O)CCCN(C)C)CCCCCCCC/C=C\C/C=C\CCCCC

InChIKey

NRLNQCOGCKAESA-KWXKLSQISA-N

InChI

InChI=1S/C43H79NO2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-42(46-43(45)40-37-41-44(3)4)39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,42H,5-12,17-18,23-41H2,1-4H3/b15-13-,16-14-,21-19-,22-20-

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Names and synonyms

1 names

Dlin-M-C3-dma

Work with Dlin-mc3-dma

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Linolein537-40-663 % similar ε-Dodecalactone16429-21-360 % similar δ-Tetradecalactone2721-22-460 % similar δ-Undecalactone710-04-360 % similar δ-Dodecalactone713-95-160 % similar 2-Arachidonoylglycerol53847-30-659 % similar δ-Decalactone705-86-258 % similar γ-Undecalactone104-67-657 % similar

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

Same formula

Dlin-kc2-dma1190197-97-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook