(2R)-4-Methylpentan-2-ol

C₆H₁₄OCAS 16404-54-9102.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₄O
Molar mass: 102.18 g/mol
Exact mass: 102.1045 Da
logP: 1.41Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2
Stereocentres: Rin SMILES atom order

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H332 Harmful if inhaled90.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P319, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

16404-54-9

SMILES

C[C@H](CC(C)C)O

InChIKey

WVYWICLMDOOCFB-ZCFIWIBFSA-N

InChI

InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m1/s1

Weigh it out

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

Names and synonyms

1 names

(R)-(-)-4-Methyl-2-pentanol

Work with (2R)-4-Methylpentan-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.

4-Methyl-2-pentanol108-11-2Stereo not defined

Similar compounds

(2R,4R)-(-)-Pentanediol42075-32-169 % similar 2,4-Pentanediol625-69-469 % similar (2S,4S)-(+)-Pentanediol72345-23-469 % similar 5-Methyl-2-hexanol627-59-855 % similar 2,6-Dimethyl-4-heptanol108-82-753 % similar 2,4-Dimethylpentane108-08-750 % similar (2R,5R)-2,5-Hexanediol17299-07-950 % similar 2,5-Hexanediol2935-44-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl-1-pentanol105-30-6 Diisopropyl ether108-20-3 1-Hexanol111-27-3 Di-n-propyl ether111-43-3 (R)-(-)-2-Hexanol26549-24-6 Pinacolyl alcohol464-07-3 (S)-(+)-2-Hexanol52019-78-0

Elsewhere

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