C1C2CC3(CC1(CC(C2)(C3)O)O)O
CAS: 99181-50-7
Name: adamantane-1,3,5-triol
SMILES: C1C2CC3(CC1(CC(C2)(C3)O)O)O

Molecular Processing

Molecular formula
C10H16O3
Molecular weight
184.23
Exact mass
184.1099
XLogP
0.18
TPSA
60.69
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
13
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
1
Molar refractivity
46.04

Supplementary Information

InChIKey: MCYBYTIPMYLHAK-UHFFFAOYSA-N
Synonyme
1,3,5-Adamantanetriol99181-50-7DTXSID50432519RefChem:217140DTXCID20383347Adamantane-1,3,5-triol1,3,5-TrihydroxyadamantaneMFCD08276262Tricyclo[3.3.1.13,7]decane-1,3,5-triolSCHEMBL424435orb3144416SCHEMBL4296936ALBB-035407TYD-03757AKOS015840960CS-W017003AC-32091AS-57747SY054927A1682D88466F241364
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