Pss-(2 3-propanediol)propoxy-heptaisobu&

• CAS: 480439-49-4
• Catalog Number: ACM480439494
• Category: Nanoparticles & Nanopowders
• Molecular Weight: 965.646
• Molecular Formula: C₃₄H₇₆O₁₆Si₈
• Synonyms: PSS-(2 3-PROPANEDIOL)PROPOXY-HEPTAISOBU&;1-(2,3-PROPANEDIOL)PROPOXY-3,5,7,9,11,13, 15-ISOBUTYLPENTACYCLO-(9.5.)OCTASILOXA;pss-(2,3-propanediol)propoxy-heptaisobutyl substituted;1,2-Propanediolisobutyl-POSS(R),POSS(R)-1,2-propanediol-isobutylsubstituted,1-
• IUPAC Name: AC1N8M4T
• SMILES: CC(C)C[Si]12O[Si]3(O[Si]4(O[Si](O1)(O[Si]5(O[Si](O2)(O[Si](O3)(O[Si](O4)(O5)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CCCOCC(CO)O
• InChI Key: DXYPXQNYEYJHJT-UHFFFAOYSA-N
• Melting Point: 117-123ºC(lit.)
• Exact Mass: 948.33400
• WGK Germany: 3

Custom Q&A

What is the molecular formula of the compound with PubChem CID 131700194?

The molecular formula is C34H76O16Si8.

When was this compound created on PubChem?

It was created on October 28, 2017.

What is the IUPAC name of this compound?

The IUPAC name is 3-[3-[[3,5,7,9,11,13,15-heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.1 3,9 .1 5,15 .1 7,13 ]icosan-1-yl]oxy]propoxy]propane-1,2-diol.

What is the InChI of this compound?

The InChI is InChI=1S/C34H76O16Si8/c1-27(2)20-51-39-52(21-28(3)4)42-55(24-31(9)10)44-53(40-51,22-29(5)6)46-57(26-33(13)14)47-54(41-51,23-30(7)8)45-56(43-52,25-32(11)12)49-58(48-55,50-57)38-17-15-16-37-19-34(36)18-35/h27-36H,15-26H2,1-14H3.

What is the Canonical SMILES of this compound?

The Canonical SMILES is CC(C)C[Si]12O[Si]3(O[Si]4(O[Si](O1)(O[Si]5(O[Si](O2)(O[Si](O3)(O[Si](O4)(O5)OCCCOCC(CO)O)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C.

What is the molecular weight of this compound?

The molecular weight is 965.6 g/mol.

How many hydrogen bond donor counts does this compound have?

It has 2 hydrogen bond donor counts.

What is the topological polar surface area of this compound?

The topological polar surface area is 170Ų.

How many rotatable bond counts does this compound have?

It has 22 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.