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

• Catalog Number: ACM480439494
• Product Name: Pss-(2 3-propanediol)propoxy-heptaisobu&
• CAS: 480439-49-4
• Category: Nanoparticles & Nanopowders
• 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
• Molecular Weight: 965.646
• Molecular Formula: C₃₄H₇₆O₁₆Si₈
• Canonical 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 PubChem CID 131700194?

The molecular formula of the compound PubChem CID 131700194 is C34H76O16Si8.

What is the molecular weight of PubChem CID 131700194?

The molecular weight of PubChem CID 131700194 is 965.6 g/mol.

What is the IUPAC name of PubChem CID 131700194?

The IUPAC name of PubChem CID 131700194 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 PubChem CID 131700194?

The InChI of PubChem CID 131700194 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 PubChem CID 131700194?

The Canonical SMILES of PubChem CID 131700194 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.

What is the hydrogen bond donor count of PubChem CID 131700194?

The hydrogen bond donor count of PubChem CID 131700194 is 2.

What is the hydrogen bond acceptor count of PubChem CID 131700194?

The hydrogen bond acceptor count of PubChem CID 131700194 is 16.

What is the rotatable bond count of PubChem CID 131700194?

The rotatable bond count of PubChem CID 131700194 is 22.

What is the topological polar surface area of PubChem CID 131700194?

The topological polar surface area of PubChem CID 131700194 is 170Ų.

Is PubChem CID 131700194 a canonicalized compound?

Yes, PubChem CID 131700194 is a canonicalized compound.