chempirical

(S)-Tetrahydrofuran-3-ylm...

C5H10O2CAS 124391-75-9102.13 g/mol

Open in Covalent MOL file
OHO
AlcoholEther

Properties

Molecular formula
C5H10O2
Molar mass
102.13 g/mol
Exact mass
102.0681 Da
logP
0.02Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
124391-75-9
SMILES
C1COC[C@@H]1CO
InChIKey
PCPUMGYALMOCHF-YFKPBYRVSA-N
InChI
InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • ((3S)-Oxolan-3-yl)methanol

Work with (S)-Tetrahydrofuran-3-ylm...

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

Tetrahydro-2H-pyran-3-methanol14774-36-873 % similar (Tetrahydro-2H-pyran-4-yl)methanol14774-37-970 % similar (3R)-Tetrahydro-3-furanmethanamine1048962-82-850 % similar (3S)-Tetrahydro-3-furanmethanamine1048962-84-050 % similar (Tetrahydrofuran-3-yl)methanamine165253-31-650 % similar Cyclohexanedimethanol105-08-845 % similar Cyclopropanemethanol2516-33-845 % similar trans-1,4-Cyclohexanedimethanol3236-48-445 % similar

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

Same formula

Ethyl propionate105-37-3 5-Hydroxy-2-pentanone1071-73-4 Isopropyl acetate108-21-4 Valeric acid109-52-4 Propyl acetate109-60-4 Ethylene glycol monoallyl ether111-45-5 4-Methyl-1,3-dioxane1120-97-4 3-Hydroxy-3-methyl-2-butanone115-22-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook