3,3,14,14-Tetramethylhexadecanedioic acid
C20H38O4
87272-20-6 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  24 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 16.4171 1.8975 0.0 0
M  V30 2 C 17.7507 2.6675 0.0 0
M  V30 3 C 15.0834 2.6675 0.0 0
M  V30 4 C 18.5208 1.3338 0.0 0
M  V30 5 C 19.0846 3.4375 0.0 0
M  V30 6 C 16.9807 4.0012 0.0 0
M  V30 7 C 13.7497 1.8975 0.0 0
M  V30 8 C 20.0608 1.3338 0.0 0
M  V30 9 C 12.4159 2.6675 0.0 0
M  V30 10 O 20.8308 2.6675 0.0 0
M  V30 11 O 20.8308 0.0000 0.0 0
M  V30 12 C 11.0822 1.8975 0.0 0
M  V30 13 C 9.7486 2.6675 0.0 0
M  V30 14 C 8.4149 1.8975 0.0 0
M  V30 15 C 7.0811 2.6675 0.0 0
M  V30 16 C 5.7474 1.8975 0.0 0
M  V30 17 C 4.4137 2.6675 0.0 0
M  V30 18 C 3.0801 1.8975 0.0 0
M  V30 19 C 2.3101 3.2311 0.0 0
M  V30 20 C 1.7462 1.1275 0.0 0
M  V30 21 C 3.8501 0.5638 0.0 0
M  V30 22 C 0.7700 3.2311 0.0 0
M  V30 23 O 0.0000 1.8975 0.0 0
M  V30 24 O 0.0000 4.5650 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 2 6
M  V30 6 1 3 7
M  V30 7 1 4 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 8 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 22 23
M  V30 23 2 22 24
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
87272-20-6

> <cas.index.name>
Hexadecanedioic acid, 3,3,14,14-tetramethyl-

> <molecular.formula>
C20H38O4

> <molecular.weight>
342.51

> <boiling.point.predicted>
485.9±18.0 °C    Press: 760 Torr

> <density.predicted>
0.984±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
4.51±0.10    Most Acidic Temp: 25 °C

$$$$
