2,4-Dimethyl-3-pentanol

C₇H₁₆OCAS 600-36-2116.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₆O
Molar mass: 116.20 g/mol
Exact mass: 116.1201 Da
Density: 0.8294 g/mL (at 20 °C)
Melting point: below −70 °C
Boiling point: 138.7 °C
logP: 1.66Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

600-36-2

SMILES

CC(C)C(O)C(C)C

InChIKey

BAYAKMPRFGNNFW-UHFFFAOYSA-N

InChI

InChI=1S/C7H16O/c1-5(2)7(8)6(3)4/h5-8H,1-4H3

Weigh it out

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

Names and synonyms

7 names

3-Pentanol, 2,4-dimethyl-
Diisopropylcarbinol
2,4-Dimethyl-3-hydroxypentane
Diisopropylmethanol
2,4-Dimethyl-3-pentyl alcohol
Diisopropylmethyl alcohol
NSC 8696

Work with 2,4-Dimethyl-3-pentanol

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

2,4-Dimethyl-3-heptanol19549-72-545 % similar 3-Methyl-2-butanol598-75-444 % similar (2S,3R)-(+)-2-Amino-3-hydroxy-4-methylpentanoic acid10148-71-742 % similar Scyllo-inositol488-59-542 % similar 1D-Chiro-inositol643-12-942 % similar Hexahydroxycyclohexane6917-35-742 % similar 2,3-Dimethylbutane79-29-842 % similar Inositol87-89-842 % similar

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

Same formula

1-Heptanol111-70-6 2,2-Dimethyl-3-pentanol3970-62-5 Hexyl methyl ether4747-07-3 2-Heptanol543-49-7 4-Heptanol589-55-9 3-Heptanol589-82-2 3-Ethyl-3-pentanol597-49-9 (+)-2-Heptanol6033-23-4

Elsewhere

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