1,3-Cyclohexanediol

C₆H₁₂O₂CAS 504-01-8116.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₂O₂
Molar mass: 116.16 g/mol
Exact mass: 116.0837 Da
Density: 1.0951 g/mL (at 25 °C)
Melting point: 45 °C
Boiling point: 138–141 °C (at 11 Torr)
logP: 0.28Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Identifiers

CAS number

504-01-8

SMILES

OC1CCCC(O)C1

InChIKey

RLMGYIOTPQVQJR-UHFFFAOYSA-N

InChI

InChI=1S/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2

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Names and synonyms

4 names

Resorcitol
1,3-Benzenediol, hexahydro-
1,3-Dihydroxycyclohexane
NSC 30235

Work with 1,3-Cyclohexanediol

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

Cyclobutanol2919-23-571 % similar 3-Aminocyclohexanol6850-39-160 % similar 1,3,5-Cyclohexanetriol2041-15-857 % similar Cyclohexanol108-93-056 % similar Cyclododecanol1724-39-656 % similar Cycloheptanol502-41-056 % similar Cyclooctanol696-71-956 % similar Decahydro-2-naphthalenol825-51-448 % similar

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

Same formula

2-(Hydroxymethyl)tetrahydropyran100-72-1 3-Methylpentanoic acid105-43-1 sec-Butyl acetate105-46-4 Ethyl butyrate105-54-4 Propyl propanoate106-36-5 3,3-Dimethylbutanoic acid1070-83-3 Isobutyl acetate110-19-0 Isoamyl formate110-45-2

Elsewhere

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