D5R

~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate

Created:	2023-07-17
Last modified:	2024-09-27

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1 entries where D5R is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	2
Bond Count	41
Aromatic Bond Count	0

2D diagram of D5R

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Chemical Component Summary
Name	~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate
Systematic Name (OpenEye OEToolkits)	~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate
Formula	C₁₄ H₂₂ O₅
Molecular Weight	270.321
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COC(=O)[C]1(C)CCC(=O)[CH](C1)C(=O)OC(C)(C)C
SMILES	OpenEye OEToolkits	2.0.7	CC1(CCC(=O)C(C1)C(=O)OC(C)(C)C)C(=O)OC
Canonical SMILES	CACTVS	3.385	COC(=O)[C@@]1(C)CCC(=O)[C@@H](C1)C(=O)OC(C)(C)C
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@]1(CCC(=O)[C@@H](C1)C(=O)OC(C)(C)C)C(=O)OC
InChI	InChI	1.06	InChI=1S/C14H22O5/c1-13(2,3)19-11(16)9-8-14(4,12(17)18-5)7-6-10(9)15/h9H,6-8H2,1-5H3/t9-,14+/m1/s1
InChIKey	InChI	1.06	KLZBEQAKBDGOQP-OTYXRUKQSA-N

Related Resource References

Resource Name	Reference
PubChem	171854927

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