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

C38H84O5Si4 — CID 87197843

IUPAC[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]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)CC(C)C
InChIInChI=1S/C38H84O5Si4/c1-29(2)20-44(21-30(3)4,22-31(5)6)41-46(25-34(11)12,26-35(13)14)43-47(27-36(15)16,28-37(17)18)42-45(23-32(7)8,24-33(9)10)40-38(19)39/h29-37H,20-28H2,1-19H3
InChIKeyGOWLVOLFTCUOMO-UHFFFAOYSA-N
MW733.43 g/mol
LogP12.78
Rot. Bonds25

About [[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]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] acetate (PubChem CID 87197843) has the molecular formula C38H84O5Si4 and a molecular weight of 733.43 g/mol. Its IUPAC name is [[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]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] acetate
PubChem CID87197843
Molecular FormulaC38H84O5Si4
Molecular Weight733.43 g/mol
Exact Mass732.54
IUPAC Name[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]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)CC(C)C
InChIInChI=1S/C38H84O5Si4/c1-29(2)20-44(21-30(3)4,22-31(5)6)41-46(25-34(11)12,26-35(13)14)43-47(27-36(15)16,28-37(17)18)42-45(23-32(7)8,24-33(9)10)40-38(19)39/h29-37H,20-28H2,1-19H3
InChIKeyGOWLVOLFTCUOMO-UHFFFAOYSA-N
XLogP12.78
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds25
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.43
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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] acetate?
The IUPAC name of [[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate (CID 87197843) is [[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]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] acetate?
The canonical SMILES for [[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]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)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] acetate?
The InChIKey is GOWLVOLFTCUOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H84O5Si4/c1-29(2)20-44(21-30(3)4,22-31(5)6)41-46(25-34(11)12,26-35(13)14)43-47(27-36(15)16,28-37(17)18)42-45(23-32(7)8,24-33(9)10)40-38(19)39/h29-37H,20-28H2,1-19H3.
What are the key properties of [[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]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] acetate has a molecular weight of 733.43 g/mol, XLogP of 12.78, 25 rotatable bonds, 0 hydrogen bond donors, and 5 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] acetate is sourced from PubChem (CID 87197843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).