4-oxoadamantan-1-yl acetate

4-oxoadamantan-1-yl acetate

CAS: 63382-10-5

Formula: C12H16O3

SMILES: CC(=O)OC12CC3CC(C1)C(=O)C(C3)C2

IUPAC: 4-oxoadamantan-1-yl acetate

InChI: InChI=1/C12H16O3/c1-7(13)15-12-4-8-2-9(5-12)11(14)10(3-8)6-12/h8-10H,2-6H2,1H3

Composition: C (69.21%), H (7.74%), O (23.05%)

Molar Mass: 208.257

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	208.109944375
Formal Charge	0
FSP3	0.83
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	HXHDLUJUHIBGGK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.72
Topological Polar Surface Area	43.37
Polarizability	21.51
Ring Count	3
Rotatable Bond Count	2

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