3,3-Dimethyl-1-butanol

C₆H₁₄OCAS 624-95-3102.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₄O
Molar mass: 102.18 g/mol
Exact mass: 102.1045 Da
Density: 0.844 g/mL (at 15 °C)
Melting point: −60 °C
Boiling point: 143 °C
logP: 1.41Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

624-95-3

SMILES

CC(C)(C)CCO

InChIKey

DUXCSEISVMREAX-UHFFFAOYSA-N

InChI

InChI=1S/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3

Weigh it out

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

Names and synonyms

4 names

1-Butanol, 3,3-dimethyl-
3,3-Dimethylbutanol
Dimbunol
NSC 54158

Work with 3,3-Dimethyl-1-butanol

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-Methyl-1,3-butanediol2568-33-450 % similar 3-Methoxy-3-methyl-1-butanol56539-66-343 % similar 2,2-Dimethylpentane590-35-242 % similar 1-Chloro-3,3-dimethylbutane2855-08-540 % similar 3,5,5-Trimethyl-1-hexanol3452-97-940 % similar 2,2-Dimethylhexane590-73-838 % similar 2,2,5-Trimethylhexane3522-94-936 % similar 2,2,4,4-Tetramethylpentane1070-87-735 % similar

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

Same formula

2-Methyl-1-pentanol105-30-6 4-Methyl-2-pentanol108-11-2 Diisopropyl ether108-20-3 1-Hexanol111-27-3 Di-N-propyl ether111-43-3 Pinacolyl alcohol464-07-3 2-Methyl-3-pentanol565-67-3 3-Methyl-1-pentanol589-35-5

Elsewhere

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