2,4-Dimethyl-3-heptanol

C₉H₂₀OCAS 19549-72-5144.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₂₀O
Molar mass: 144.26 g/mol
Exact mass: 144.1514 Da
logP: 2.44Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Hazards

Warning

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

Aggregated from 4 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

19549-72-5

SMILES

CCCC(C)C(O)C(C)C

InChIKey

PSCLFHNWSAXNJL-UHFFFAOYSA-N

InChI

InChI=1S/C9H20O/c1-5-6-8(4)9(10)7(2)3/h7-10H,5-6H2,1-4H3

Weigh it out

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

Names and synonyms

2 names

3-Heptanol, 2,4-dimethyl-
NSC 102784

Work with 2,4-Dimethyl-3-heptanol

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

2,3-Dimethylhexane584-94-161 % similar 2-Methyl-3-hexanol617-29-852 % similar 4-Methyl-5-nonanol154170-44-248 % similar 2,6-Dimethylcyclohexanol5337-72-448 % similar 2,4-Dimethyl-3-pentanol600-36-245 % similar 2,3-Dimethylheptane3074-71-344 % similar (+)-2-Pentanol26184-62-342 % similar (2R)-Pentan-2-ol31087-44-242 % similar

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

Same formula

2,6-Dimethyl-4-heptanol108-82-7 2,6-Dimethyl-2-heptanol13254-34-7 1-Nonanol143-08-8 3,6-Dimethyl-3-heptanol1573-28-0 3,5,5-Trimethyl-1-hexanol3452-97-9 3-Methyl-3-octanol5340-36-3 4-Nonanol5932-79-6 Nonan-5-ol623-93-8

Elsewhere

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