chempirical

3,6-Dimethyl-3-heptanol

C9H20OCAS 1573-28-0144.26 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C9H20O
Molar mass
144.26 g/mol
Exact mass
144.1514 Da
logP
2.58Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Identifiers

CAS number
1573-28-0
SMILES
CCC(C)(CCC(C)C)O
InChIKey
HVPGGLNDHUWMLS-UHFFFAOYSA-N
InChI
InChI=1S/C9H20O/c1-5-9(4,10)7-6-8(2)3/h8,10H,5-7H2,1-4H3

Weigh it out

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Work with 3,6-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

Tetrahydrolinalool78-69-378 % similar 3,5-Dimethyl-3-hexanol4209-91-063 % similar 3-Methyl-3-pentanol77-74-754 % similar 2,5-Dimethyl-2-hexanol3730-60-750 % similar 3-Methyl-3-nonanol21078-72-848 % similar 2,2,5-Trimethylhexane3522-94-944 % similar α-Ethyl-α-methylbenzenepropanol10415-87-944 % similar Dihydrolinalool18479-51-144 % 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 2,4-Dimethyl-3-heptanol19549-72-5 3,5,5-Trimethyl-1-hexanol3452-97-9 3-Methyl-3-octanol5340-36-3 4-Nonanol5932-79-6 5-Nonanol623-93-8

Elsewhere

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