hydroxy-[2-[2-[hydroxy(dimethyl)silyl]oxypropan-2-yl-methyl-(3,3,3-trifluoropropyl)silyl]oxypropan-2-yl]-dimethylsilane

C14H33F3O4Si3 — CID 123485623

IUPAChydroxy-[2-[2-[hydroxy(dimethyl)silyl]oxypropan-2-yl-methyl-(3,3,3-trifluoropropyl)silyl]oxypropan-2-yl]-dimethylsilane
SMILESCC(C)(O[Si](C)(CCC(F)(F)F)C(C)(C)O[Si](C)(C)O)[Si](C)(C)O
InChIInChI=1S/C14H33F3O4Si3/c1-12(2,22(5,6)18)21-24(9,11-10-14(15,16)17)13(3,4)20-23(7,8)19/h18-19H,10-11H2,1-9H3
InChIKeyFEDRUQUKTSTJHS-UHFFFAOYSA-N
MW406.67 g/mol
LogP4.07
Rot. Bonds8

About hydroxy-[2-[2-[hydroxy(dimethyl)silyl]oxypropan-2-yl-methyl-(3,3,3-trifluoropropyl)silyl]oxypropan-2-yl]-dimethylsilane

hydroxy-[2-[2-[hydroxy(dimethyl)silyl]oxypropan-2-yl-methyl-(3,3,3-trifluoropropyl)silyl]oxypropan-2-yl]-dimethylsilane (PubChem CID 123485623) has the molecular formula C14H33F3O4Si3 and a molecular weight of 406.67 g/mol. Its IUPAC name is hydroxy-[2-[2-[hydroxy(dimethyl)silyl]oxypropan-2-yl-methyl-(3,3,3-trifluoropropyl)silyl]oxypropan-2-yl]-dimethylsilane.

Molecular Properties

Compound Namehydroxy-[2-[2-[hydroxy(dimethyl)silyl]oxypropan-2-yl-methyl-(3,3,3-trifluoropropyl)silyl]oxypropan-2-yl]-dimethylsilane
PubChem CID123485623
Molecular FormulaC14H33F3O4Si3
Molecular Weight406.67 g/mol
Exact Mass406.16
IUPAC Namehydroxy-[2-[2-[hydroxy(dimethyl)silyl]oxypropan-2-yl-methyl-(3,3,3-trifluoropropyl)silyl]oxypropan-2-yl]-dimethylsilane
SMILESCC(C)(O[Si](C)(CCC(F)(F)F)C(C)(C)O[Si](C)(C)O)[Si](C)(C)O
InChIInChI=1S/C14H33F3O4Si3/c1-12(2,22(5,6)18)21-24(9,11-10-14(15,16)17)13(3,4)20-23(7,8)19/h18-19H,10-11H2,1-9H3
InChIKeyFEDRUQUKTSTJHS-UHFFFAOYSA-N
XLogP4.07
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.67
LogP ≤ 54.07
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-[2-[hydroxy(dimethyl)silyl]oxypropan-2-yl-methyl-(3,3,3-trifluoropropyl)silyl]oxypropan-2-yl]-dimethylsilane?
The IUPAC name of hydroxy-[2-[2-[hydroxy(dimethyl)silyl]oxypropan-2-yl-methyl-(3,3,3-trifluoropropyl)silyl]oxypropan-2-yl]-dimethylsilane (CID 123485623) is hydroxy-[2-[2-[hydroxy(dimethyl)silyl]oxypropan-2-yl-methyl-(3,3,3-trifluoropropyl)silyl]oxypropan-2-yl]-dimethylsilane.
What is the SMILES notation for hydroxy-[2-[2-[hydroxy(dimethyl)silyl]oxypropan-2-yl-methyl-(3,3,3-trifluoropropyl)silyl]oxypropan-2-yl]-dimethylsilane?
The canonical SMILES for hydroxy-[2-[2-[hydroxy(dimethyl)silyl]oxypropan-2-yl-methyl-(3,3,3-trifluoropropyl)silyl]oxypropan-2-yl]-dimethylsilane is CC(C)(O[Si](C)(CCC(F)(F)F)C(C)(C)O[Si](C)(C)O)[Si](C)(C)O.
What is the InChIKey of hydroxy-[2-[2-[hydroxy(dimethyl)silyl]oxypropan-2-yl-methyl-(3,3,3-trifluoropropyl)silyl]oxypropan-2-yl]-dimethylsilane?
The InChIKey is FEDRUQUKTSTJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33F3O4Si3/c1-12(2,22(5,6)18)21-24(9,11-10-14(15,16)17)13(3,4)20-23(7,8)19/h18-19H,10-11H2,1-9H3.
What are the key properties of hydroxy-[2-[2-[hydroxy(dimethyl)silyl]oxypropan-2-yl-methyl-(3,3,3-trifluoropropyl)silyl]oxypropan-2-yl]-dimethylsilane?
hydroxy-[2-[2-[hydroxy(dimethyl)silyl]oxypropan-2-yl-methyl-(3,3,3-trifluoropropyl)silyl]oxypropan-2-yl]-dimethylsilane has a molecular weight of 406.67 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[2-[2-[hydroxy(dimethyl)silyl]oxypropan-2-yl-methyl-(3,3,3-trifluoropropyl)silyl]oxypropan-2-yl]-dimethylsilane is sourced from PubChem (CID 123485623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).