(S)-3-Methyl-pentanoic acid
Properties
- Molecular formula
- C6H12O2
- Molar mass
- 116.16 g/mol
- Exact mass
- 116.0837 Da
- Density
- 0.9735 g/mL (at 30 °C)
- Boiling point
- 100–103 °C (at 12.5 Torr)
- logP
- 1.51Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
- Stereocentres
- Sin SMILES atom order
Hazards
Danger
- H318 Causes serious eye damage97.5% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264+P265, P280, P305+P354+P338, P317
Identifiers
CAS number
1730-92-3SMILES
CC[C@H](C)CC(=O)OInChIKey
IGIDLTISMCAULB-YFKPBYRVSA-NInChI
InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/t5-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- (3S)-3-Methylpentanoic acid
- Pentanoic acid, 3-methyl-, (3S)-
- Valeric acid, 3-methyl-, (S)-(+)-
- Pentanoic acid, 3-methyl-, (S)-
- (+)-3-Methylvaleric acid
- (S)-3-Methylpentanoic acid
- (+)-3-Methylpentanoic acid
- (S)-(+)-3-Methylvaleric acid
- (S)-3-Methylvaleric acid
Work with (S)-3-Methyl-pentanoic acid
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.
Similar compounds
3-Methylglutaric acid626-51-774 % similar
3,5,5-Trimethylhexanoic acid3302-10-162 % similar
(±)-3-Methyladipic acid3058-01-361 % similar
3-Methyl-heptanoic acid53663-30-260 % similar
3-Methylbutanoic acid503-74-254 % similar
5-Methyl-3-heptanone541-85-552 % similar
Ethyl 3-methylpentanoate5870-68-852 % similar
L-Beta-homoisoleucine hydrochloride219310-10-850 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds