1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-ol

• Catalog Number: ACM130727412
• Product Name: 1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-ol
• CAS: 130727-41-2
• Category: Biomaterials
• Synonyms: TRI(ETHYLENE GLYCOL) MONO-11-MERCAPTOUN&;11-Mercaptoundecanoltriethyleneglycolether;Triethylene glycol mono-11-mercaptoundecyl ether,(11-Mercaptoundecyl)tri(ethylene glycol);2-[2-[2-(11-Mercaptoundecyloxy)ethoxy]ethoxy]ethanol;Triethylene glycol Mono-11-M
• IUPAC Name: 2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethanol
• Molecular Weight: 336.5g/mol
• Molecular Formula: C17H36O4S
• Canonical SMILES: C(CCCCCOCCOCCOCCO)CCCCCS
• InChI: InChI=1S/C17H36O4S/c18-10-12-20-14-16-21-15-13-19-11-8-6-4-2-1-3-5-7-9-17-22/h18,22H,1-17H2
• InChI Key: FASSFROSROBIBE-UHFFFAOYSA-N
• Complexity: 194
• Covalently-Bonded Unit Count: 1
• Exact Mass: 336.233431g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 2
• Heavy Atom Count: 22
• Monoisotopic Mass: 336.233431g/mol
• Rotatable Bond Count: 19
• XLogP3: 3.6

Custom Q&A

What is the molecular formula of 1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-ol?

The molecular formula is C17H36O4S.

What is the molecular weight of 1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-ol?

The molecular weight is 336.5 g/mol.

What is the IUPAC name of 1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-ol?

The IUPAC name is 2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethanol.

What is the InChI of 1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-ol?

The InChI is InChI=1S/C17H36O4S/c18-10-12-20-14-16-21-15-13-19-11-8-6-4-2-1-3-5-7-9-17-22/h18,22H,1-17H2.

What is the InChIKey of 1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-ol?

The InChIKey is FASSFROSROBIBE-UHFFFAOYSA-N.

What is the canonical SMILES of 1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-ol?

The canonical SMILES is C(CCCCCOCCOCCOCCO)CCCCCS.

What is the CAS number of 1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-ol?

The CAS number is 130727-41-2.

What is the XLogP3 of 1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-ol?

The XLogP3 is 3.6.

Is 1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-ol a hydrogen bond donor?

Yes, it has 2 hydrogen bond donor counts.

Is 1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-ol a hydrogen bond acceptor?

Yes, it has 5 hydrogen bond acceptor counts.