COC(=O)CC12CC3CC(C1)CC(C3)(C2)C4=CC=CC=C4
Name: methyl 2-(3-phenyl-1-adamantyl)acetate
SMILES: COC(=O)CC12CC3CC(C1)CC(C3)(C2)C4=CC=CC=C4

Molecular Processing

Molecular formula
C19H24O2
Molecular weight
284.4
Exact mass
284.1776
XLogP
4.09
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
21
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.632
Molar refractivity
81.87

Supplementary Information

InChIKey: AWKJCFGQPAFWHO-UHFFFAOYSA-N
Synonyme
SCHEMBL2257606AWKJCFGQPAFWHO-UHFFFAOYSA-Nmethyl 3-phenyl-1-adamantaneacetatemethyl (3-phenyl-1-adamantyl)acetate
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