tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluorooct-7-enoxy]-diphenylsilane

C41H53FO2Si2 — CID 142754728

IUPACtert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluorooct-7-enoxy]-diphenylsilane
SMILESC=CCCCCC(F)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C41H53FO2Si2/c1-8-9-10-23-32-41(42,33-43-45(39(2,3)4,35-24-15-11-16-25-35)36-26-17-12-18-27-36)34-44-46(40(5,6)7,37-28-19-13-20-29-37)38-30-21-14-22-31-38/h8,11-22,24-31H,1,9-10,23,32-34H2,2-7H3
InChIKeyZCBUMWNTTWZFSJ-UHFFFAOYSA-N
MW653.04 g/mol
LogP8.59
Rot. Bonds15

About tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluorooct-7-enoxy]-diphenylsilane

tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluorooct-7-enoxy]-diphenylsilane (PubChem CID 142754728) has the molecular formula C41H53FO2Si2 and a molecular weight of 653.04 g/mol. Its IUPAC name is tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluorooct-7-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluorooct-7-enoxy]-diphenylsilane
PubChem CID142754728
Molecular FormulaC41H53FO2Si2
Molecular Weight653.04 g/mol
Exact Mass652.36
IUPAC Nametert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluorooct-7-enoxy]-diphenylsilane
SMILESC=CCCCCC(F)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C41H53FO2Si2/c1-8-9-10-23-32-41(42,33-43-45(39(2,3)4,35-24-15-11-16-25-35)36-26-17-12-18-27-36)34-44-46(40(5,6)7,37-28-19-13-20-29-37)38-30-21-14-22-31-38/h8,11-22,24-31H,1,9-10,23,32-34H2,2-7H3
InChIKeyZCBUMWNTTWZFSJ-UHFFFAOYSA-N
XLogP8.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.04
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluorooct-7-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluorooct-7-enoxy]-diphenylsilane (CID 142754728) is tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluorooct-7-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluorooct-7-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluorooct-7-enoxy]-diphenylsilane is C=CCCCCC(F)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluorooct-7-enoxy]-diphenylsilane?
The InChIKey is ZCBUMWNTTWZFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H53FO2Si2/c1-8-9-10-23-32-41(42,33-43-45(39(2,3)4,35-24-15-11-16-25-35)36-26-17-12-18-27-36)34-44-46(40(5,6)7,37-28-19-13-20-29-37)38-30-21-14-22-31-38/h8,11-22,24-31H,1,9-10,23,32-34H2,2-7H3.
What are the key properties of tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluorooct-7-enoxy]-diphenylsilane?
tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluorooct-7-enoxy]-diphenylsilane has a molecular weight of 653.04 g/mol, XLogP of 8.59, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluorooct-7-enoxy]-diphenylsilane is sourced from PubChem (CID 142754728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).