2,4-Dimethyl-3-pentanol

C7H16OCAS 600-36-2116.20 g/mol

Open in Covalent MOL file
OH
Alcohol

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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

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

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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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