C1C2CC3(CC1CC(C2)(C3)O)O
CAS: 5001-18-3
Nom: adamantane-1,3-diol
SMILES: C1C2CC3(CC1CC(C2)(C3)O)O

Molecular Processing

Molecular formula
C10H16O2
Molecular weight
168.24
Exact mass
168.115
XLogP
1.06
TPSA
40.46
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
1
Molar refractivity
44.58

Supplementary Information

InChIKey: MOLCWHCSXCKHAP-UHFFFAOYSA-N
Synonymes
1,3-Adamantanediol5001-18-3DTXSID30198181RefChem:412812DTXCID60120672677-075-7Adamantane-1,3-diol1,3-DihydroxyadamantaneTricyclo[3.3.1.13,7]decane-1,3-diol(1s,3s,5s,7s)-adamantane-1,3-dioltricyclo[3.3.1.1~3,7~]decane-1,3-diolMFCD001540131,3-Adamantandiol1,3-Adamantandiol; 1,3-Dihydroxyadamantane;1,3-DihydroxyadamanataneVildagliptin Impurity 18adamantan-1,3-diol1,3-adamantane diol1,3-adamantane-diol1,3-Adamantanediol #1, 3-dihydroxyadamantaneOprea1_509718SCHEMBL424418SCHEMBL503327SCHEMBL14791285SCHEMBL15467155SCHEMBL15858211ALBB-013814BBL012286AKOS001483023
Voir la source →
Impliqué dans 52 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→