1-tert-butyl 2-ethyl (1S,2R)-cyclohexane-1,2-dicarboxylate

1-tert-butyl 2-ethyl (1S,2R)-cyclohexane-1,2-dicarboxylate

CAS: 805994-98-3

Formula: C14H24O4

SMILES: CCOC(=O)[C@@H]1CCCC[C@@H]1C(=O)OC(C)(C)C

IUPAC: 1-tert-butyl 2-ethyl (1S,2R)-cyclohexane-1,2-dicarboxylate

InChI: InChI=1S/C14H24O4/c1-5-17-12(15)10-8-6-7-9-11(10)13(16)18-14(2,3)4/h10-11H,5-9H2,1-4H3/t10-,11+/m1/s1

Composition: C (65.60%), H (9.44%), O (24.97%)

Molar Mass: 256.342

Atom Count: 42

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	256.167459253
Formal Charge	0
FSP3	0.86
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	FFWWCWZHPKFYNL-MNOVXSKESA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.18
Topological Polar Surface Area	52.6
Polarizability	27.34
Ring Count	1
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	805994-98-3		$103.40-$377.04$103.40$155.10$377.04