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3,6,9,12-Tetraoxaoctacosan-1-ol,11-methyl-,acetate(9ci)

CAS
93385-03-6
Catalog Number
ACM93385036
Category
Other Products
Molecular Formula
C27H54O6

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What is the molecular formula of 3,6,9,12-Tetraoxaoctacosan-1-ol,11-methyl-,acetate(9ci)?

The molecular formula is C27H54O6.

What is the PubChem CID of 3,6,9,12-Tetraoxaoctacosan-1-ol,11-methyl-,acetate(9ci)?

The PubChem CID is 57483199.

What is the IUPAC name of 3,6,9,12-Tetraoxaoctacosan-1-ol,11-methyl-,acetate(9ci)?

The IUPAC name is 2-[2-[2-(2-hexadecoxypropoxy)ethoxy]ethoxy]ethyl acetate.

What is the InChI of 3,6,9,12-Tetraoxaoctacosan-1-ol,11-methyl-,acetate(9ci)?

The InChI is InChI=1S/C27H54O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32-26(2)25-31-22-21-29-19-20-30-23-24-33-27(3)28/h26H,4-25H2,1-3H3.

What is the InChIKey of 3,6,9,12-Tetraoxaoctacosan-1-ol,11-methyl-,acetate(9ci)?

The InChIKey is DTWLQQWJHSNQKD-UHFFFAOYSA-N.

What is the canonical SMILES of 3,6,9,12-Tetraoxaoctacosan-1-ol,11-methyl-,acetate(9ci)?

The canonical SMILES is CCCCCCCCCCCCCCCCOC(C)COCCOCCOCCOC(=O)C.

What is the molecular weight of 3,6,9,12-Tetraoxaoctacosan-1-ol,11-methyl-,acetate(9ci)?

The molecular weight is 474.7 g/mol.

What is the XLogP3-AA of 3,6,9,12-Tetraoxaoctacosan-1-ol,11-methyl-,acetate(9ci)?

The XLogP3-AA is 7.7.

How many hydrogen bond acceptor count does 3,6,9,12-Tetraoxaoctacosan-1-ol,11-methyl-,acetate(9ci) have?

It has 6 hydrogen bond acceptor count.

Is 3,6,9,12-Tetraoxaoctacosan-1-ol,11-methyl-,acetate(9ci) a canonicalized compound?

Yes, it is a canonicalized compound.

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