chempirical

2,2,4,4-Tetramethylcyclobutane-1,3-diol

C8H16O2CAS 3010-96-6144.21 g/mol

Open in Covalent MOL file
OHHO
Alcohol

Properties

Molecular formula
C8H16O2
Molar mass
144.21 g/mol
Exact mass
144.1150 Da
Melting point
129–137 °C
logP
0.77Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

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
3010-96-6
SMILES
CC1(C)C(O)C(C)(C)C1O
InChIKey
FQXGHZNSUOHCLO-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O2/c1-7(2)5(9)8(3,4)6(7)10/h5-6,9-10H,1-4H3

Weigh it out

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Names and synonyms

7 names
  • 2,2,4,4-Tetramethyl-1,3-cyclobutanediol
  • 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-
  • Tetramethyl-1,3-cyclobutanediol
  • NSC 46473
  • 2,4-Dihydroxy-1,1,3,3-tetramethylcyclobutane
  • 1,3-Dihydroxy-2,2,4,4-tetramethylcyclobutane
  • 2,2,4,4-Tetramethyl-1,3-cyclobutandiol

Work with 2,2,4,4-Tetramethylcyclobutane-1,3-diol

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

Fenchol1632-73-138 % similar (+)-Fenchol2217-02-938 % similar Hydrogenated bisphenol A80-04-636 % similar 1,1,1,3,3,3-Hexafluoro-2-propanol29463-77-233 % similar Hexafluoro-2-propanol920-66-133 % similar Pinacolyl alcohol464-07-330 % similar

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

Same formula

2-Ethylbutyl acetate10031-87-5 Cyclohexanedimethanol105-08-8 Isoamyl propionate105-68-0 1,1-Diethoxy-2-butene10602-34-3 Methyl heptanoate106-73-0 4-Methyl-2-pentyl acetate108-84-9 Butyl butyrate109-21-7 2-Methylheptanoic acid1188-02-9

Elsewhere

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