1,3-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate

1,3-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate

CAS: 39590-04-0

Formula: C9H14O4

SMILES: COC(=O)[C@H]1CC[C@H](C1)C(=O)OC

IUPAC: 1,3-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate

InChI: InChI=1S/C9H14O4/c1-12-8(10)6-3-4-7(5-6)9(11)13-2/h6-7H,3-5H2,1-2H3/t6-,7+

Composition: C (58.05%), H (7.58%), O (34.37%)

Molar Mass: 186.207

Atom Count: 27

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	186.089208931
Formal Charge	0
FSP3	0.78
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	SQFQEQDRLAZVJQ-KNVOCYPGSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.02
Topological Polar Surface Area	52.6
Polarizability	18.19
Ring Count	1
Rotatable Bond Count	4

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