Structure

1 3 5 7 9 11 14-Heptaisobutyltricyclo

CAS
307531-92-6
Catalog Number
ACM307531926
Category
Nanoparticles & Nanopowders
Molecular Weight
791.419
Molecular Formula
C28H66O12Si7

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Specification

Synonyms
1 3 5 7 9 11 14-HEPTAISOBUTYLTRICYCLO;1,3,5,7,9,11,14-HEPTAISOBUTYLTRICYCLO(7.;Isobutyltrisilanol-POSS(R);1,3,5,7,9,11,14-Heptaisobutyltricyclo[7.3.3.15,11]heptasiloxane-endo-3,7,14-triol 97%
What is the molecular formula of 1,3,5,7,9,11,14-Heptaisobutyltricyclo[7.3.3.15,11]heptasiloxane-endo-3,7,14-triol?

The molecular formula is C28H66O12Si7.

When was the compound created and last modified?

The compound was created on 2005-09-14 and last modified on 2023-11-25.

What is the IUPAC name of the compound?

The IUPAC name is 3,7,14-trihydroxy-1,3,5,7,9,11,14-heptakis(2-methylpropyl)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane.

What is the InChI of the compound?

The InChI is InChI=1S/C28H66O12Si7/c1-22(2)15-41(29)32-44(18-25(7)8)34-42(30,16-23(3)4)36-46(20-27(11)12)37-43(31,17-24(5)6)35-45(33-41,19-26(9)10)39-47(38-44,40-46)21-28(13)14/h22-31H,15-21H2,1-14H3.

What is the InChIKey of the compound?

The InChIKey is APIBTMSFBUJAAC-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES is CC(C)C[Si]1(O[Si]2(O[Si](O[Si]3(O[Si](O[Si](O1)(O[Si](O2)(O3)CC(C)C)CC(C)C)(CC(C)C)O)CC(C)C)(CC(C)C)O)CC(C)C)O.

What is the molecular weight of the compound?

The molecular weight is 791.4 g/mol.

How many hydrogen bond donor counts are there in the compound?

There are 3 hydrogen bond donor counts.

What is the heavy atom count of the compound?

The heavy atom count is 47.

What is the complexity value of the compound?

The complexity value is 897.

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