1,3,5-Adamantanetriol

C₁₀H₁₆O₃CAS 99181-50-7184.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₆O₃
Molar mass: 184.23 g/mol
Exact mass: 184.1099 Da
logP: 0.18Crippen estimate
Polar surface area: 60.7 Å²
H-bond donors / acceptors: 3 / 3
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

99181-50-7

SMILES

C1C2CC3(CC1(CC(C2)(C3)O)O)O

InChIKey

MCYBYTIPMYLHAK-UHFFFAOYSA-N

InChI

InChI=1S/C10H16O3/c11-8-1-7-2-9(12,4-8)6-10(13,3-7)5-8/h7,11-13H,1-6H2

Weigh it out

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Work with 1,3,5-Adamantanetriol

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

1,3-Dihydroxyadamantane5001-18-367 % similar 1-Hydroxy-3,5-dimethyladamantane707-37-959 % similar 1-Adamantanol768-95-656 % similar 3-Amino-1-adamantanol702-82-946 % similar 3-(Hydroxymethyl)adamantan-1-ol38584-37-142 % similar 5-Hydroxy-2-adamantanone20098-14-037 % similar 3-Hydroxyadamantane-1-carboxylic acid42711-75-137 % similar trans-4-Aminoadamantan-1-ol hydrochloride62075-23-434 % similar

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

Same formula

Ethyl 3-cyclopentyl-3-oxopropanoate24922-00-7 Ethyl 2-(4-oxocyclohexyl)acetate58012-34-3

Elsewhere

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