1,15-Diethyl 2,2,14,14-tetramethyl-8-oxopentadecanedioate

C₂₃H₄₂O₅CAS 738606-43-4398.58 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₃H₄₂O₅
Molar mass: 398.58 g/mol
Exact mass: 398.3032 Da
logP: 5.64Crippen estimate
Polar surface area: 69.7 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 16

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled66.7% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure66.7% of notifiers
H413 May cause long lasting harmful effects to aquatic life33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P362+P364, P501

Identifiers

CAS number

738606-43-4

SMILES

CCOC(=O)C(C)(C)CCCCCC(=O)CCCCCC(C)(C)C(=O)OCC

InChIKey

LDURYVDWYUCWGK-UHFFFAOYSA-N

InChI

InChI=1S/C23H42O5/c1-7-27-20(25)22(3,4)17-13-9-11-15-19(24)16-12-10-14-18-23(5,6)21(26)28-8-2/h7-18H2,1-6H3

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Names and synonyms

1 names

2,2,14,14-Tetramethyl-8-oxopentadecanedioic acid diethyl ester

Work with 1,15-Diethyl 2,2,14,14-tetramethyl-8-oxopentadecanedioate

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

Ethyl-2,2-dimethyl-7-bromoheptanoate123469-92-168 % similar 2,2,14,14-Tetramethyl-8-oxopentadecanedioic acid413624-71-253 % similar Glycidyl neodecanoate26761-45-549 % similar Bismuth neodecanoate34364-26-648 % similar Ethyl 3-amino-2,2-dimethylpropanoate hydrochloride80253-38-948 % similar Diethyl 1,1-cyclobutanedicarboxylate3779-29-147 % similar Ethyl 1-methylcyclopropanecarboxylate71441-76-447 % similar Diethyl cyclopropane-1,1-dicarboxylate1559-02-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Oleoyl-2-acetyl-sn-glycerol86390-77-4

Elsewhere

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