chempirical

Neopentyl glycol

C5H12O2CAS 126-30-7104.15 g/mol

Open in Covalent MOL file
HOOH
Alcohol

Properties

Molecular formula
C5H12O2
Molar mass
104.15 g/mol
Exact mass
104.0837 Da
Density
1.1 g/mL
Melting point
127 °C
Boiling point
210 °C
logP
0.00Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
126-30-7
SMILES
CC(C)(CO)CO
InChIKey
SLCVBVWXLSEKPL-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

19 names · show all
  • 1,3-Propanediol, 2,2-dimethyl-
  • 2,2-Dimethyl-1,3-propanediol
  • Dimethylolpropane
  • Neopentylene glycol
  • Neopentanediol
  • Hydroxypivalyl alcohol
  • 1,3-Dihydroxy-2,2-dimethylpropane
  • 2,2-Dimethyl-1,3-dihydroxypropane
  • 2,2-Dimethyltrimethylene glycol
  • 2,2-Bis(hydroxymethyl)propane
  • 2,2-Dimethylpropan-1,3-diol
  • Nexcoat 600
  • NSC 55836
  • NSC 6366
  • 2,2-Dimethylolpropane
  • 2,2-Dimethyl-1,3-propylene glycol
  • 2,2-Dimethylpropanediol monoacrylate monomethacrylate
  • 3-Hydroxy-2,2-dimethylpropanol
  • R 2490

Work with Neopentyl glycol

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

3-Chloro-2,2-dimethylpropanol13401-56-461 % similar 3-Amino-2,2-dimethyl-1-propanol26734-09-861 % similar Trimethylolethane77-85-053 % similar 2-Methyl-1,2-propanediol558-43-044 % similar 2-Amino-2-methyl-1,3-propanediol115-69-542 % similar Aminomethyl propanol124-68-542 % similar 2,2-Difluoro-1-propanol33420-52-942 % similar Pentaerythritol115-77-540 % similar

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

Same formula

2-Isopropoxyethanol109-59-1 1,5-Pentanediol111-29-5 4-Methoxy-1-butanol111-32-0 3-Ethoxy-1-propanol111-35-3 1-Ethoxy-2-propanol1569-02-4 (2R)-2-Methyl-1,4-butanediol22644-28-6 3-Methoxybutanol2517-43-3 3-Methyl-1,3-butanediol2568-33-4

Elsewhere

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