COC(=O)C12CC3CC(C1)C(=O)C(C3)C2
CAS: 56674-88-5
Nombre: methyl 4-oxoadamantane-1-carboxylate
SMILES: COC(=O)C12CC3CC(C1)C(=O)C(C3)C2

Molecular Processing

Molecular formula
C12H16O3
Molecular weight
208.26
Exact mass
208.1099
XLogP
1.55
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
53.01

Supplementary Information

InChIKey: DUPFRYAOGHZOCO-UHFFFAOYSA-N
Sinónimos
methyl 4-oxoadamantane-1-carboxylate56674-88-54-oxoadamantane-1-carboxylic acid methyl estermethyl 2-adamantanone-5-carboxylateMFCD00181718Methyl 4-oxoadamantan-1-carboxylate4-Oxo-adamantane-1-carboxylic acid methyl esterMethyl 4-oxo-1-adamantanecarboxylateEnamine_001936Oprea1_682188SCHEMBL748725-carbomethoxy-2-adamantanoneHMS1399H22GCA67488methyl4-oxoadamantane-1-carboxylateAKOS022186012CS-W001596AS-67051DB-2632384-oxo-adamantan-1-carboxylic acid methyl esterEN300-1662931SR-01000031073SR-01000031073-1Z56813564
Ver fuente →
Participa en 11 reacciones→

Busqueda Extendida

Busqueda de Subestructura→Busqueda de Similitud→