bis[[dimethyl-[[4-(2,3,3-trimethylbutoxymethyl)phenyl]methoxy]silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane

C38H65F3O6Si3 — CID 58434138

IUPACbis[[dimethyl-[[4-(2,3,3-trimethylbutoxymethyl)phenyl]methoxy]silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane
SMILESCC(COCc1ccc(CO[Si](C)(C)O[Si](C)(CCC(F)(F)F)O[Si](C)(C)OCc2ccc(COCC(C)C(C)(C)C)cc2)cc1)C(C)(C)C
InChIInChI=1S/C38H65F3O6Si3/c1-30(36(3,4)5)24-42-26-32-14-18-34(19-15-32)28-44-48(9,10)46-50(13,23-22-38(39,40)41)47-49(11,12)45-29-35-20-16-33(17-21-35)27-43-25-31(2)37(6,7)8/h14-21,30-31H,22-29H2,1-13H3
InChIKeyWZHHAEHQNDYZLQ-UHFFFAOYSA-N
MW759.18 g/mol
LogP11.28
Rot. Bonds20

About bis[[dimethyl-[[4-(2,3,3-trimethylbutoxymethyl)phenyl]methoxy]silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane

bis[[dimethyl-[[4-(2,3,3-trimethylbutoxymethyl)phenyl]methoxy]silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane (PubChem CID 58434138) has the molecular formula C38H65F3O6Si3 and a molecular weight of 759.18 g/mol. Its IUPAC name is bis[[dimethyl-[[4-(2,3,3-trimethylbutoxymethyl)phenyl]methoxy]silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Namebis[[dimethyl-[[4-(2,3,3-trimethylbutoxymethyl)phenyl]methoxy]silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane
PubChem CID58434138
Molecular FormulaC38H65F3O6Si3
Molecular Weight759.18 g/mol
Exact Mass758.40
IUPAC Namebis[[dimethyl-[[4-(2,3,3-trimethylbutoxymethyl)phenyl]methoxy]silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane
SMILESCC(COCc1ccc(CO[Si](C)(C)O[Si](C)(CCC(F)(F)F)O[Si](C)(C)OCc2ccc(COCC(C)C(C)(C)C)cc2)cc1)C(C)(C)C
InChIInChI=1S/C38H65F3O6Si3/c1-30(36(3,4)5)24-42-26-32-14-18-34(19-15-32)28-44-48(9,10)46-50(13,23-22-38(39,40)41)47-49(11,12)45-29-35-20-16-33(17-21-35)27-43-25-31(2)37(6,7)8/h14-21,30-31H,22-29H2,1-13H3
InChIKeyWZHHAEHQNDYZLQ-UHFFFAOYSA-N
XLogP11.28
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.18
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 bis[[dimethyl-[[4-(2,3,3-trimethylbutoxymethyl)phenyl]methoxy]silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane?
The IUPAC name of bis[[dimethyl-[[4-(2,3,3-trimethylbutoxymethyl)phenyl]methoxy]silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane (CID 58434138) is bis[[dimethyl-[[4-(2,3,3-trimethylbutoxymethyl)phenyl]methoxy]silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for bis[[dimethyl-[[4-(2,3,3-trimethylbutoxymethyl)phenyl]methoxy]silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for bis[[dimethyl-[[4-(2,3,3-trimethylbutoxymethyl)phenyl]methoxy]silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane is CC(COCc1ccc(CO[Si](C)(C)O[Si](C)(CCC(F)(F)F)O[Si](C)(C)OCc2ccc(COCC(C)C(C)(C)C)cc2)cc1)C(C)(C)C.
What is the InChIKey of bis[[dimethyl-[[4-(2,3,3-trimethylbutoxymethyl)phenyl]methoxy]silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane?
The InChIKey is WZHHAEHQNDYZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H65F3O6Si3/c1-30(36(3,4)5)24-42-26-32-14-18-34(19-15-32)28-44-48(9,10)46-50(13,23-22-38(39,40)41)47-49(11,12)45-29-35-20-16-33(17-21-35)27-43-25-31(2)37(6,7)8/h14-21,30-31H,22-29H2,1-13H3.
What are the key properties of bis[[dimethyl-[[4-(2,3,3-trimethylbutoxymethyl)phenyl]methoxy]silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane?
bis[[dimethyl-[[4-(2,3,3-trimethylbutoxymethyl)phenyl]methoxy]silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane has a molecular weight of 759.18 g/mol, XLogP of 11.28, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[dimethyl-[[4-(2,3,3-trimethylbutoxymethyl)phenyl]methoxy]silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 58434138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).