[[[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate

C54H120O7Si6 — CID 87197855

IUPAC[[[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate
SMILESCC(=O)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C54H120O7Si6/c1-41(2)28-62(29-42(3)4,30-43(5)6)57-64(33-46(11)12,34-47(13)14)59-66(37-50(19)20,38-51(21)22)61-67(39-52(23)24,40-53(25)26)60-65(35-48(15)16,36-49(17)18)58-63(31-44(7)8,32-45(9)10)56-54(27)55/h41-53H,28-40H2,1-27H3
InChIKeyWEFMXJCNUJJPSM-UHFFFAOYSA-N
MW1050.06 g/mol
LogP18.32
Rot. Bonds37

About [[[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate

[[[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate (PubChem CID 87197855) has the molecular formula C54H120O7Si6 and a molecular weight of 1050.06 g/mol. Its IUPAC name is [[[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate.

Molecular Properties

Compound Name[[[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate
PubChem CID87197855
Molecular FormulaC54H120O7Si6
Molecular Weight1050.06 g/mol
Exact Mass1048.76
IUPAC Name[[[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate
SMILESCC(=O)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C54H120O7Si6/c1-41(2)28-62(29-42(3)4,30-43(5)6)57-64(33-46(11)12,34-47(13)14)59-66(37-50(19)20,38-51(21)22)61-67(39-52(23)24,40-53(25)26)60-65(35-48(15)16,36-49(17)18)58-63(31-44(7)8,32-45(9)10)56-54(27)55/h41-53H,28-40H2,1-27H3
InChIKeyWEFMXJCNUJJPSM-UHFFFAOYSA-N
XLogP18.32
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds37
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001050.06
LogP ≤ 518.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate?
The IUPAC name of [[[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate (CID 87197855) is [[[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate.
What is the SMILES notation for [[[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate?
The canonical SMILES for [[[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate is CC(=O)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)CC(C)C.
What is the InChIKey of [[[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate?
The InChIKey is WEFMXJCNUJJPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H120O7Si6/c1-41(2)28-62(29-42(3)4,30-43(5)6)57-64(33-46(11)12,34-47(13)14)59-66(37-50(19)20,38-51(21)22)61-67(39-52(23)24,40-53(25)26)60-65(35-48(15)16,36-49(17)18)58-63(31-44(7)8,32-45(9)10)56-54(27)55/h41-53H,28-40H2,1-27H3.
What are the key properties of [[[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate?
[[[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate has a molecular weight of 1050.06 g/mol, XLogP of 18.32, 37 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [[[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate is sourced from PubChem (CID 87197855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).