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1,5-dimethyl bicyclo[3.2.2]nonane-1,5-dicarboxylate

1,5-dimethyl bicyclo[3.2.2]nonane-1,5-dicarboxylate

CAS: 942999-92-0

Formula: C13H20O4

SMILES: COC(=O)C12CCC(CC1)(CCC2)C(=O)OC

IUPAC: 1,5-dimethyl bicyclo[3.2.2]nonane-1,5-dicarboxylate

InChI: InChI=1S/C13H20O4/c1-16-10(14)12-4-3-5-13(8-6-12,9-7-12)11(15)17-2/h3-9H2,1-2H3

Composition: C (64.98%), H (8.39%), O (26.63%)

Molar Mass: 240.299

Atom Count: 37

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 240.136159124
Formal Charge 0
FSP3 0.85
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey BCWFWKSMCATFDC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.42
Topological Polar Surface Area 52.6
Polarizability 24.79
Ring Count 2
Rotatable Bond Count 4

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