chempirical

(2R)-Pentan-2-ol

C5H12OCAS 31087-44-288.15 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C5H12O
Molar mass
88.15 g/mol
Exact mass
88.0888 Da
logP
1.17Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
31087-44-2
SMILES
CCC[C@@H](C)O
InChIKey
JYVLIDXNZAXMDK-RXMQYKEDSA-N
InChI
InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m1/s1

Weigh it out

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

Names and synonyms

1 names
  • (R)-(-)-2-Pentanol

Work with (2R)-Pentan-2-ol

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.

(+)-2-Pentanol26184-62-3Enantiomer 2-Pentanol6032-29-7Stereo not defined

Similar compounds

(R)-(-)-2-Hexanol26549-24-670 % similar 2-Hexanol626-93-770 % similar 2-Heptanol543-49-767 % similar (+)-2-Heptanol6033-23-467 % similar (2R,5R)-2,5-Hexanediol17299-07-965 % similar 2,5-Hexanediol2935-44-665 % similar (2S,5S)-(+)-Hexanediol34338-96-065 % similar (±)-2-Dodecanol10203-28-864 % similar

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

Same formula

Isoamyl alcohol123-51-3 2-Methyl-1-butanol137-32-6 (S)-2-Methyl-1-butanol1565-80-6 Methyl tert-butyl ether1634-04-4 1-Pentanol30899-19-5 2-Methyl-1-butanol34713-94-5 3-Pentanol584-02-1

Elsewhere

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