[dimethyl(trimethylsilyloxy)silyl]oxy-[2-[dimethyl(trimethylsilyloxy)silyl]oxybutan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane

C18H45F3O4Si5 — CID 90247802

IUPAC[dimethyl(trimethylsilyloxy)silyl]oxy-[2-[dimethyl(trimethylsilyloxy)silyl]oxybutan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane
SMILESCCC(C)(O[Si](C)(C)O[Si](C)(C)C)[Si](C)(CCC(F)(F)F)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C18H45F3O4Si5/c1-14-17(2,22-28(9,10)23-26(3,4)5)30(13,16-15-18(19,20)21)25-29(11,12)24-27(6,7)8/h14-16H2,1-13H3
InChIKeyHWUNUHMUTPRDFO-UHFFFAOYSA-N
MW522.98 g/mol
LogP7.36
Rot. Bonds12

About [dimethyl(trimethylsilyloxy)silyl]oxy-[2-[dimethyl(trimethylsilyloxy)silyl]oxybutan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane

[dimethyl(trimethylsilyloxy)silyl]oxy-[2-[dimethyl(trimethylsilyloxy)silyl]oxybutan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane (PubChem CID 90247802) has the molecular formula C18H45F3O4Si5 and a molecular weight of 522.98 g/mol. Its IUPAC name is [dimethyl(trimethylsilyloxy)silyl]oxy-[2-[dimethyl(trimethylsilyloxy)silyl]oxybutan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Name[dimethyl(trimethylsilyloxy)silyl]oxy-[2-[dimethyl(trimethylsilyloxy)silyl]oxybutan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane
PubChem CID90247802
Molecular FormulaC18H45F3O4Si5
Molecular Weight522.98 g/mol
Exact Mass522.21
IUPAC Name[dimethyl(trimethylsilyloxy)silyl]oxy-[2-[dimethyl(trimethylsilyloxy)silyl]oxybutan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane
SMILESCCC(C)(O[Si](C)(C)O[Si](C)(C)C)[Si](C)(CCC(F)(F)F)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C18H45F3O4Si5/c1-14-17(2,22-28(9,10)23-26(3,4)5)30(13,16-15-18(19,20)21)25-29(11,12)24-27(6,7)8/h14-16H2,1-13H3
InChIKeyHWUNUHMUTPRDFO-UHFFFAOYSA-N
XLogP7.36
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.98
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [dimethyl(trimethylsilyloxy)silyl]oxy-[2-[dimethyl(trimethylsilyloxy)silyl]oxybutan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane 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 [dimethyl(trimethylsilyloxy)silyl]oxy-[2-[dimethyl(trimethylsilyloxy)silyl]oxybutan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane?
The IUPAC name of [dimethyl(trimethylsilyloxy)silyl]oxy-[2-[dimethyl(trimethylsilyloxy)silyl]oxybutan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane (CID 90247802) is [dimethyl(trimethylsilyloxy)silyl]oxy-[2-[dimethyl(trimethylsilyloxy)silyl]oxybutan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for [dimethyl(trimethylsilyloxy)silyl]oxy-[2-[dimethyl(trimethylsilyloxy)silyl]oxybutan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for [dimethyl(trimethylsilyloxy)silyl]oxy-[2-[dimethyl(trimethylsilyloxy)silyl]oxybutan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane is CCC(C)(O[Si](C)(C)O[Si](C)(C)C)[Si](C)(CCC(F)(F)F)O[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of [dimethyl(trimethylsilyloxy)silyl]oxy-[2-[dimethyl(trimethylsilyloxy)silyl]oxybutan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane?
The InChIKey is HWUNUHMUTPRDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H45F3O4Si5/c1-14-17(2,22-28(9,10)23-26(3,4)5)30(13,16-15-18(19,20)21)25-29(11,12)24-27(6,7)8/h14-16H2,1-13H3.
What are the key properties of [dimethyl(trimethylsilyloxy)silyl]oxy-[2-[dimethyl(trimethylsilyloxy)silyl]oxybutan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane?
[dimethyl(trimethylsilyloxy)silyl]oxy-[2-[dimethyl(trimethylsilyloxy)silyl]oxybutan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane has a molecular weight of 522.98 g/mol, XLogP of 7.36, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(trimethylsilyloxy)silyl]oxy-[2-[dimethyl(trimethylsilyloxy)silyl]oxybutan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 90247802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).