3-Chloro-2,2-dimethylpropanol

C5H11ClOCAS 13401-56-4122.59 g/mol

Open in Covalent MOL file
HOCl
AlcoholAlkyl halide

Properties

Molecular formula
C5H11ClO
Molar mass
122.59 g/mol
Exact mass
122.0498 Da
Melting point
35 °C
Boiling point
78–80 °C (at 10 Torr)
logP
1.24Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

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

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Identifiers

CAS number
13401-56-4
SMILES
CC(C)(CO)CCl
InChIKey
CAZPRAORHCOIHC-UHFFFAOYSA-N
InChI
InChI=1S/C5H11ClO/c1-5(2,3-6)4-7/h7H,3-4H2,1-2H3

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

Names and synonyms

4 names
  • 1-Propanol, 3-chloro-2,2-dimethyl-
  • 3-Chloro-2,2-dimethyl-1-propanol
  • NSC 245179
  • 2,2-Dimethyl-3-chloropropan-1-ol

Work with 3-Chloro-2,2-dimethylpropanol

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

Neopentyl glycol126-30-761 % similar 2,2-Dimethyl-1,3-dichloropropane29559-55-561 % similar 3-Amino-2,2-dimethyl-1-propanol26734-09-848 % similar 3-Bromo-2,2-dimethyl-1-propanol40894-00-648 % similar 5-Amino-2,2-dimethylpentanol13532-77-941 % similar Trimethylolethane77-85-040 % similar 1-Chloro-2-methylpropan-2-ol558-42-939 % similar Neopentyl alcohol75-84-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Chloro-4-methoxybutane17913-18-7 1-(2-Chloroethoxy)propane42149-74-6 5-Chloro-1-pentanol5259-98-3

Elsewhere

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