methyl 2-(adamantan-1-yl)acetate

methyl 2-(adamantan-1-yl)acetate

CAS: 27174-71-6

Formula: C13H20O2

SMILES: COC(=O)CC12CC3CC(CC(C3)C1)C2

IUPAC: methyl 2-(adamantan-1-yl)acetate

InChI: InChI=1S/C13H20O2/c1-15-12(14)8-13-5-9-2-10(6-13)4-11(3-9)7-13/h9-11H,2-8H2,1H3

Composition: C (74.96%), H (9.68%), O (15.36%)

Molar Mass: 208.301

Atom Count: 35

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	208.146329884
Formal Charge	0
FSP3	0.92
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	MZIVXJGBKLZCKF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.71
Topological Polar Surface Area	26.3
Polarizability	23.25
Ring Count	3
Rotatable Bond Count	3

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