chempirical

(S)-(+)-2-Hexanol

C6H14OCAS 52019-78-0102.18 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C6H14O
Molar mass
102.18 g/mol
Exact mass
102.1045 Da
logP
1.56Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
52019-78-0
SMILES
CCCC[C@H](C)O
InChIKey
QNVRIHYSUZMSGM-LURJTMIESA-N
InChI
InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3/t6-/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • (2S)-Hexan-2-ol

Work with (S)-(+)-2-Hexanol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-(-)-2-Hexanol26549-24-6Enantiomer 2-Hexanol626-93-7Stereo not defined

Similar compounds

2-Heptanol543-49-785 % similar (+)-2-Heptanol6033-23-485 % similar (R)-(-)-2-Heptanol6033-24-585 % similar (±)-2-Dodecanol10203-28-881 % similar (±)-2-Decanol1120-06-581 % similar 2-Octanol123-96-681 % similar (±)-2-Undecanol1653-30-181 % similar 2-Octanol4128-31-881 % 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 (2R)-4-Methylpentan-2-ol16404-54-9 Pinacolyl alcohol464-07-3

Elsewhere

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