3-Bromo-2,2-dimethyl-1-propanol

C₅H₁₁BrOCAS 40894-00-6167.05 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₅H₁₁BrO
Molar mass: 167.05 g/mol
Exact mass: 165.9993 Da
logP: 1.40Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

40894-00-6

SMILES

CC(C)(CO)CBr

InChIKey

KQOQXYPZBYTICM-UHFFFAOYSA-N

InChI

InChI=1S/C5H11BrO/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.

Work with 3-Bromo-2,2-dimethyl-1-propanol

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-Chloro-2,2-dimethylpropanol13401-56-448 % similar 3-Amino-2,2-dimethyl-1-propanol26734-09-848 % similar Pentaerythritol tribromide1522-92-548 % similar 2,2-Bis(bromomethyl)-1,3-propanediol3296-90-048 % similar Tribromoneopentyl alcohol36483-57-548 % similar 5-Amino-2,2-dimethylpentanol13532-77-941 % similar Trimethylolethane77-85-040 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-1-pentanol34626-51-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook