1,4-dimethyl bicyclo[2.1.1]hexane-1,4-dicarboxylate

1,4-dimethyl bicyclo[2.1.1]hexane-1,4-dicarboxylate

CAS: 42145-38-0

Formula: C10H14O4

SMILES: COC(=O)C12CC(C1)(CC2)C(=O)OC

IUPAC: 1,4-dimethyl bicyclo[2.1.1]hexane-1,4-dicarboxylate

InChI: InChI=1S/C10H14O4/c1-13-7(11)9-3-4-10(5-9,6-9)8(12)14-2/h3-6H2,1-2H3

Composition: C (60.59%), H (7.12%), O (32.29%)

Molar Mass: 198.218

Atom Count: 28

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	198.089208931
Formal Charge	0
FSP3	0.8
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	OWFFQFMDATXZDF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.62
Topological Polar Surface Area	52.6
Polarizability	19.3
Ring Count	2
Rotatable Bond Count	4

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