[1,7-bis[[dimethylsilyloxy(dimethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane

C22H59FO5Si7 — CID 162446216

IUPAC[1,7-bis[[dimethylsilyloxy(dimethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane
SMILESC[SiH](C)O[Si](C)(C)O[Si](C)(C)CCCC(F)(CCC[Si](C)(C)O[Si](C)(C)O[SiH](C)C)O[Si](C)(C)C
InChIInChI=1S/C22H59FO5Si7/c1-29(2)25-34(12,13)27-32(8,9)20-16-18-22(23,24-31(5,6)7)19-17-21-33(10,11)28-35(14,15)26-30(3)4/h29-30H,16-21H2,1-15H3
InChIKeyWIEQMERZKQSWLY-UHFFFAOYSA-N
MW619.31 g/mol
LogP7.91
Rot. Bonds18

About [1,7-bis[[dimethylsilyloxy(dimethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane

[1,7-bis[[dimethylsilyloxy(dimethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane (PubChem CID 162446216) has the molecular formula C22H59FO5Si7 and a molecular weight of 619.31 g/mol. Its IUPAC name is [1,7-bis[[dimethylsilyloxy(dimethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[1,7-bis[[dimethylsilyloxy(dimethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane
PubChem CID162446216
Molecular FormulaC22H59FO5Si7
Molecular Weight619.31 g/mol
Exact Mass618.27
IUPAC Name[1,7-bis[[dimethylsilyloxy(dimethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane
SMILESC[SiH](C)O[Si](C)(C)O[Si](C)(C)CCCC(F)(CCC[Si](C)(C)O[Si](C)(C)O[SiH](C)C)O[Si](C)(C)C
InChIInChI=1S/C22H59FO5Si7/c1-29(2)25-34(12,13)27-32(8,9)20-16-18-22(23,24-31(5,6)7)19-17-21-33(10,11)28-35(14,15)26-30(3)4/h29-30H,16-21H2,1-15H3
InChIKeyWIEQMERZKQSWLY-UHFFFAOYSA-N
XLogP7.91
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.31
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [1,7-bis[[dimethylsilyloxy(dimethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane?
The IUPAC name of [1,7-bis[[dimethylsilyloxy(dimethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane (CID 162446216) is [1,7-bis[[dimethylsilyloxy(dimethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane.
What is the SMILES notation for [1,7-bis[[dimethylsilyloxy(dimethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane?
The canonical SMILES for [1,7-bis[[dimethylsilyloxy(dimethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane is C[SiH](C)O[Si](C)(C)O[Si](C)(C)CCCC(F)(CCC[Si](C)(C)O[Si](C)(C)O[SiH](C)C)O[Si](C)(C)C.
What is the InChIKey of [1,7-bis[[dimethylsilyloxy(dimethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane?
The InChIKey is WIEQMERZKQSWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H59FO5Si7/c1-29(2)25-34(12,13)27-32(8,9)20-16-18-22(23,24-31(5,6)7)19-17-21-33(10,11)28-35(14,15)26-30(3)4/h29-30H,16-21H2,1-15H3.
What are the key properties of [1,7-bis[[dimethylsilyloxy(dimethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane?
[1,7-bis[[dimethylsilyloxy(dimethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane has a molecular weight of 619.31 g/mol, XLogP of 7.91, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,7-bis[[dimethylsilyloxy(dimethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane is sourced from PubChem (CID 162446216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).