3-Chloro-2,2-dimethylpropanol

C₅H₁₁ClOCAS 13401-56-4122.59 g/mol

Open in Covalent MOL file

Alcohol Alkyl 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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

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

Weigh it out

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 3-Amino-2,2-dimethyl-1-propanol26734-09-848 % similar Trimethylolethane77-85-040 % similar 1-Chloro-2-methyl-2-propanol558-42-939 % similar 1-Chloro-2,2-dimethylpropane753-89-938 % similar 2-Methyl-1,2-propanediol558-43-035 % similar 1,2-Dichloro-2-methylpropane594-37-635 % similar Hydroxypivalyl hydroxypivalate1115-20-433 % 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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