benzyl(trimethyl)silane;2,4,6,8-tetramethyl-2-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C39H72O10Si9 — CID 123562593

IUPACbenzyl(trimethyl)silane;2,4,6,8-tetramethyl-2-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC[SiH]1O[SiH](C)O[Si](C)(CCCOc2ccc(C(C)(C)c3ccc(OCCC[Si]4(C)O[SiH](C)O[SiH](C)O[SiH](C)O4)cc3)cc2)O[SiH](C)O1.C[Si](C)(C)Cc1ccccc1
InChIInChI=1S/C29H56O10Si8.C10H16Si/c1-29(2,25-13-17-27(18-14-25)30-21-11-23-46(9)36-42(5)32-40(3)33-43(6)37-46)26-15-19-28(20-16-26)31-22-12-24-47(10)38-44(7)34-41(4)35-45(8)39-47;1-11(2,3)9-10-7-5-4-6-8-10/h13-20,40-45H,11-12,21-24H2,1-10H3;4-8H,9H2,1-3H3
InChIKeyBSESHWPGWYBQCS-UHFFFAOYSA-N
MW953.77 g/mol
LogP8.06
Rot. Bonds14

About benzyl(trimethyl)silane;2,4,6,8-tetramethyl-2-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

benzyl(trimethyl)silane;2,4,6,8-tetramethyl-2-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 123562593) has the molecular formula C39H72O10Si9 and a molecular weight of 953.77 g/mol. Its IUPAC name is benzyl(trimethyl)silane;2,4,6,8-tetramethyl-2-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Namebenzyl(trimethyl)silane;2,4,6,8-tetramethyl-2-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID123562593
Molecular FormulaC39H72O10Si9
Molecular Weight953.77 g/mol
Exact Mass952.30
IUPAC Namebenzyl(trimethyl)silane;2,4,6,8-tetramethyl-2-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC[SiH]1O[SiH](C)O[Si](C)(CCCOc2ccc(C(C)(C)c3ccc(OCCC[Si]4(C)O[SiH](C)O[SiH](C)O[SiH](C)O4)cc3)cc2)O[SiH](C)O1.C[Si](C)(C)Cc1ccccc1
InChIInChI=1S/C29H56O10Si8.C10H16Si/c1-29(2,25-13-17-27(18-14-25)30-21-11-23-46(9)36-42(5)32-40(3)33-43(6)37-46)26-15-19-28(20-16-26)31-22-12-24-47(10)38-44(7)34-41(4)35-45(8)39-47;1-11(2,3)9-10-7-5-4-6-8-10/h13-20,40-45H,11-12,21-24H2,1-10H3;4-8H,9H2,1-3H3
InChIKeyBSESHWPGWYBQCS-UHFFFAOYSA-N
XLogP8.06
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.77
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze benzyl(trimethyl)silane;2,4,6,8-tetramethyl-2-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl(trimethyl)silane;2,4,6,8-tetramethyl-2-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of benzyl(trimethyl)silane;2,4,6,8-tetramethyl-2-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 123562593) is benzyl(trimethyl)silane;2,4,6,8-tetramethyl-2-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for benzyl(trimethyl)silane;2,4,6,8-tetramethyl-2-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for benzyl(trimethyl)silane;2,4,6,8-tetramethyl-2-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is C[SiH]1O[SiH](C)O[Si](C)(CCCOc2ccc(C(C)(C)c3ccc(OCCC[Si]4(C)O[SiH](C)O[SiH](C)O[SiH](C)O4)cc3)cc2)O[SiH](C)O1.C[Si](C)(C)Cc1ccccc1.
What is the InChIKey of benzyl(trimethyl)silane;2,4,6,8-tetramethyl-2-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is BSESHWPGWYBQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H56O10Si8.C10H16Si/c1-29(2,25-13-17-27(18-14-25)30-21-11-23-46(9)36-42(5)32-40(3)33-43(6)37-46)26-15-19-28(20-16-26)31-22-12-24-47(10)38-44(7)34-41(4)35-45(8)39-47;1-11(2,3)9-10-7-5-4-6-8-10/h13-20,40-45H,11-12,21-24H2,1-10H3;4-8H,9H2,1-3H3.
What are the key properties of benzyl(trimethyl)silane;2,4,6,8-tetramethyl-2-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
benzyl(trimethyl)silane;2,4,6,8-tetramethyl-2-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 953.77 g/mol, XLogP of 8.06, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(trimethyl)silane;2,4,6,8-tetramethyl-2-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 123562593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).