4,4-dimethylpentan-2-yl-[2-[1-[dimethyl(pentan-2-yl)silyl]oxyethyl-dimethylsilyl]oxypropan-2-yl]-dimethylsilane

C23H54O2Si3 — CID 91391789

IUPAC4,4-dimethylpentan-2-yl-[2-[1-[dimethyl(pentan-2-yl)silyl]oxyethyl-dimethylsilyl]oxypropan-2-yl]-dimethylsilane
SMILESCCCC(C)[Si](C)(C)OC(C)[Si](C)(C)OC(C)(C)[Si](C)(C)C(C)CC(C)(C)C
InChIInChI=1S/C23H54O2Si3/c1-16-17-19(2)27(12,13)24-21(4)28(14,15)25-23(8,9)26(10,11)20(3)18-22(5,6)7/h19-21H,16-18H2,1-15H3
InChIKeyFSFBGRJAFMKOKQ-UHFFFAOYSA-N
MW446.94 g/mol
LogP8.40
Rot. Bonds11

About 4,4-dimethylpentan-2-yl-[2-[1-[dimethyl(pentan-2-yl)silyl]oxyethyl-dimethylsilyl]oxypropan-2-yl]-dimethylsilane

4,4-dimethylpentan-2-yl-[2-[1-[dimethyl(pentan-2-yl)silyl]oxyethyl-dimethylsilyl]oxypropan-2-yl]-dimethylsilane (PubChem CID 91391789) has the molecular formula C23H54O2Si3 and a molecular weight of 446.94 g/mol. Its IUPAC name is 4,4-dimethylpentan-2-yl-[2-[1-[dimethyl(pentan-2-yl)silyl]oxyethyl-dimethylsilyl]oxypropan-2-yl]-dimethylsilane.

Molecular Properties

Compound Name4,4-dimethylpentan-2-yl-[2-[1-[dimethyl(pentan-2-yl)silyl]oxyethyl-dimethylsilyl]oxypropan-2-yl]-dimethylsilane
PubChem CID91391789
Molecular FormulaC23H54O2Si3
Molecular Weight446.94 g/mol
Exact Mass446.34
IUPAC Name4,4-dimethylpentan-2-yl-[2-[1-[dimethyl(pentan-2-yl)silyl]oxyethyl-dimethylsilyl]oxypropan-2-yl]-dimethylsilane
SMILESCCCC(C)[Si](C)(C)OC(C)[Si](C)(C)OC(C)(C)[Si](C)(C)C(C)CC(C)(C)C
InChIInChI=1S/C23H54O2Si3/c1-16-17-19(2)27(12,13)24-21(4)28(14,15)25-23(8,9)26(10,11)20(3)18-22(5,6)7/h19-21H,16-18H2,1-15H3
InChIKeyFSFBGRJAFMKOKQ-UHFFFAOYSA-N
XLogP8.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.94
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4,4-dimethylpentan-2-yl-[2-[1-[dimethyl(pentan-2-yl)silyl]oxyethyl-dimethylsilyl]oxypropan-2-yl]-dimethylsilane?
The IUPAC name of 4,4-dimethylpentan-2-yl-[2-[1-[dimethyl(pentan-2-yl)silyl]oxyethyl-dimethylsilyl]oxypropan-2-yl]-dimethylsilane (CID 91391789) is 4,4-dimethylpentan-2-yl-[2-[1-[dimethyl(pentan-2-yl)silyl]oxyethyl-dimethylsilyl]oxypropan-2-yl]-dimethylsilane.
What is the SMILES notation for 4,4-dimethylpentan-2-yl-[2-[1-[dimethyl(pentan-2-yl)silyl]oxyethyl-dimethylsilyl]oxypropan-2-yl]-dimethylsilane?
The canonical SMILES for 4,4-dimethylpentan-2-yl-[2-[1-[dimethyl(pentan-2-yl)silyl]oxyethyl-dimethylsilyl]oxypropan-2-yl]-dimethylsilane is CCCC(C)[Si](C)(C)OC(C)[Si](C)(C)OC(C)(C)[Si](C)(C)C(C)CC(C)(C)C.
What is the InChIKey of 4,4-dimethylpentan-2-yl-[2-[1-[dimethyl(pentan-2-yl)silyl]oxyethyl-dimethylsilyl]oxypropan-2-yl]-dimethylsilane?
The InChIKey is FSFBGRJAFMKOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H54O2Si3/c1-16-17-19(2)27(12,13)24-21(4)28(14,15)25-23(8,9)26(10,11)20(3)18-22(5,6)7/h19-21H,16-18H2,1-15H3.
What are the key properties of 4,4-dimethylpentan-2-yl-[2-[1-[dimethyl(pentan-2-yl)silyl]oxyethyl-dimethylsilyl]oxypropan-2-yl]-dimethylsilane?
4,4-dimethylpentan-2-yl-[2-[1-[dimethyl(pentan-2-yl)silyl]oxyethyl-dimethylsilyl]oxypropan-2-yl]-dimethylsilane has a molecular weight of 446.94 g/mol, XLogP of 8.40, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpentan-2-yl-[2-[1-[dimethyl(pentan-2-yl)silyl]oxyethyl-dimethylsilyl]oxypropan-2-yl]-dimethylsilane is sourced from PubChem (CID 91391789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).