hydroxy-[2-[hydroxy(dimethyl)silyl]butan-2-yloxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane

C12H29F3O4Si3 — CID 90290528

IUPAChydroxy-[2-[hydroxy(dimethyl)silyl]butan-2-yloxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane
SMILESCCC(C)(O[Si](C)(CCC(F)(F)F)O[Si](C)(C)O)[Si](C)(C)O
InChIInChI=1S/C12H29F3O4Si3/c1-8-11(2,20(3,4)16)18-22(7,19-21(5,6)17)10-9-12(13,14)15/h16-17H,8-10H2,1-7H3
InChIKeyUORGPBVBFMSVKO-UHFFFAOYSA-N
MW378.61 g/mol
LogP3.64
Rot. Bonds8

About hydroxy-[2-[hydroxy(dimethyl)silyl]butan-2-yloxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane

hydroxy-[2-[hydroxy(dimethyl)silyl]butan-2-yloxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane (PubChem CID 90290528) has the molecular formula C12H29F3O4Si3 and a molecular weight of 378.61 g/mol. Its IUPAC name is hydroxy-[2-[hydroxy(dimethyl)silyl]butan-2-yloxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane.

Molecular Properties

Compound Namehydroxy-[2-[hydroxy(dimethyl)silyl]butan-2-yloxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane
PubChem CID90290528
Molecular FormulaC12H29F3O4Si3
Molecular Weight378.61 g/mol
Exact Mass378.13
IUPAC Namehydroxy-[2-[hydroxy(dimethyl)silyl]butan-2-yloxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane
SMILESCCC(C)(O[Si](C)(CCC(F)(F)F)O[Si](C)(C)O)[Si](C)(C)O
InChIInChI=1S/C12H29F3O4Si3/c1-8-11(2,20(3,4)16)18-22(7,19-21(5,6)17)10-9-12(13,14)15/h16-17H,8-10H2,1-7H3
InChIKeyUORGPBVBFMSVKO-UHFFFAOYSA-N
XLogP3.64
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.61
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 hydroxy-[2-[hydroxy(dimethyl)silyl]butan-2-yloxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane?
The IUPAC name of hydroxy-[2-[hydroxy(dimethyl)silyl]butan-2-yloxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane (CID 90290528) is hydroxy-[2-[hydroxy(dimethyl)silyl]butan-2-yloxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane.
What is the SMILES notation for hydroxy-[2-[hydroxy(dimethyl)silyl]butan-2-yloxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane?
The canonical SMILES for hydroxy-[2-[hydroxy(dimethyl)silyl]butan-2-yloxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane is CCC(C)(O[Si](C)(CCC(F)(F)F)O[Si](C)(C)O)[Si](C)(C)O.
What is the InChIKey of hydroxy-[2-[hydroxy(dimethyl)silyl]butan-2-yloxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane?
The InChIKey is UORGPBVBFMSVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29F3O4Si3/c1-8-11(2,20(3,4)16)18-22(7,19-21(5,6)17)10-9-12(13,14)15/h16-17H,8-10H2,1-7H3.
What are the key properties of hydroxy-[2-[hydroxy(dimethyl)silyl]butan-2-yloxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane?
hydroxy-[2-[hydroxy(dimethyl)silyl]butan-2-yloxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane has a molecular weight of 378.61 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[2-[hydroxy(dimethyl)silyl]butan-2-yloxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane is sourced from PubChem (CID 90290528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).