Structure

Tetramethyl 2,6-dihydroxybicyclo[3.3.1]nona-2,6-diene-1,3,5,7-tetracarboxylate

CAS
6966-22-9
Catalog Number
ACM6966229
Category
Polymer/Macromolecule
Molecular Weight
384.33
Molecular Formula
C17H20O10

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Specification

Synonyms
MEERWEINS ESTER;RARECHEM AQ BC 9126;TETRAMETHYL 2,6-DIHYDROXYBICYCLO[3.3.1]NONA-2,6-DIENE-1,3,5,7-TETRACARBOXYLATE;TETRAMETHYL 2,6-DIHYDROXYBICYCLO(3.3.1)- NONA-2,6-DIENE-1,3,5,7-TETRACARBO, 98%;Tetramethyl-2,6-dihydroxybicyclo-(3.3.1)nona- 2,6-diene-1,3,
What is the molecular formula of Tetramethyl 2,6-dihydroxybicyclo[3.3.1]nona-2,6-diene-1,3,5,7-tetracarboxylate?

The molecular formula is C17H20O10.

What is the molecular weight of Tetramethyl 2,6-dihydroxybicyclo[3.3.1]nona-2,6-diene-1,3,5,7-tetracarboxylate?

The molecular weight is 384.3 g/mol.

What is the IUPAC name of Tetramethyl 2,6-dihydroxybicyclo[3.3.1]nona-2,6-diene-1,3,5,7-tetracarboxylate?

The IUPAC name is tetramethyl (1S,5S)-2,6-dihydroxybicyclo[3.3.1]nona-2,6-diene-1,3,5,7-tetracarboxylate.

What is the InChI of Tetramethyl 2,6-dihydroxybicyclo[3.3.1]nona-2,6-diene-1,3,5,7-tetracarboxylate?

The InChI is InChI=1S/C17H20O10/c1-24-12(20)8-5-16(14(22)26-3)7-17(10(8)18,15(23)27-4)6-9(11(16)19)13(21)25-2/h18-19H,5-7H2,1-4H3/t16-,17-/m0/s1.

What is the InChIKey of Tetramethyl 2,6-dihydroxybicyclo[3.3.1]nona-2,6-diene-1,3,5,7-tetracarboxylate?

The InChIKey is RTOPVTVAOFUQAH-IRXDYDNUSA-N.

What is the Canonical SMILES of Tetramethyl 2,6-dihydroxybicyclo[3.3.1]nona-2,6-diene-1,3,5,7-tetracarboxylate?

The Canonical SMILES is COC(=O)C1=C(C2(CC(=C(C(C1)(C2)C(=O)OC)O)C(=O)OC)C(=O)OC)O.

What is the Isomeric SMILES of Tetramethyl 2,6-dihydroxybicyclo[3.3.1]nona-2,6-diene-1,3,5,7-tetracarboxylate?

The Isomeric SMILES is COC(=O)C1=C([C@@]2(CC(=C([C@](C1)(C2)C(=O)OC)O)C(=O)OC)C(=O)OC)O.

What is the XLogP3-AA of Tetramethyl 2,6-dihydroxybicyclo[3.3.1]nona-2,6-diene-1,3,5,7-tetracarboxylate?

The XLogP3-AA is 0.6.

How many hydrogen bond donor counts does Tetramethyl 2,6-dihydroxybicyclo[3.3.1]nona-2,6-diene-1,3,5,7-tetracarboxylate have?

Tetramethyl 2,6-dihydroxybicyclo[3.3.1]nona-2,6-diene-1,3,5,7-tetracarboxylate has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Tetramethyl 2,6-dihydroxybicyclo[3.3.1]nona-2,6-diene-1,3,5,7-tetracarboxylate have?

Tetramethyl 2,6-dihydroxybicyclo[3.3.1]nona-2,6-diene-1,3,5,7-tetracarboxylate has 10 hydrogen bond acceptor counts.

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