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1,2-bis(2-methylpropyl) cyclohexane-1,2-dicarboxylate

1,2-bis(2-methylpropyl) cyclohexane-1,2-dicarboxylate

CAS: 70969-58-3

Formula: C16H28O4

SMILES: CC(C)COC(=O)C1CCCCC1C(=O)OCC(C)C

IUPAC: 1,2-bis(2-methylpropyl) cyclohexane-1,2-dicarboxylate

InChI: InChI=1/C16H28O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h11-14H,5-10H2,1-4H3

Composition: C (67.57%), H (9.92%), O (22.50%)

Molar Mass: 284.396

Atom Count: 48

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 284.198759382
Formal Charge 0
FSP3 0.87
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey QUKHPBOCBWDYMW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.11
Topological Polar Surface Area 52.6
Polarizability 31.01
Ring Count 1
Rotatable Bond Count 8

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