tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-diphenylsilane

C27H44O2Si2 — CID 11224866

IUPACtert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-diphenylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H44O2Si2/c1-26(2,3)30(7,8)28-22-16-11-17-23-29-31(27(4,5)6,24-18-12-9-13-19-24)25-20-14-10-15-21-25/h9-10,12-15,18-21H,11,16-17,22-23H2,1-8H3
InChIKeyAWARXSBAVOSZCW-UHFFFAOYSA-N
MW456.82 g/mol
LogP6.76
Rot. Bonds10

About tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-diphenylsilane

tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-diphenylsilane (PubChem CID 11224866) has the molecular formula C27H44O2Si2 and a molecular weight of 456.82 g/mol. Its IUPAC name is tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-diphenylsilane
PubChem CID11224866
Molecular FormulaC27H44O2Si2
Molecular Weight456.82 g/mol
Exact Mass456.29
IUPAC Nametert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-diphenylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H44O2Si2/c1-26(2,3)30(7,8)28-22-16-11-17-23-29-31(27(4,5)6,24-18-12-9-13-19-24)25-20-14-10-15-21-25/h9-10,12-15,18-21H,11,16-17,22-23H2,1-8H3
InChIKeyAWARXSBAVOSZCW-UHFFFAOYSA-N
XLogP6.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.82
LogP ≤ 56.76
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'}

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Related Compounds

Diphenyldimethoxysilane
CID 81284
1,3-Diphenyltetramethyldisiloxane
CID 5945
Diphenyldiethoxysilane
CID 75705
Benzene, (diethoxymethylsilyl)-
CID 69891
Bisphenylhexamethicone
CID 10144957
Ethoxymethyldiphenylsilane
CID 74576
Silane, (1,1-dimethylethyl)diphenyl(2-propynyloxy)-
CID 610226
Diphenylvinylethoxysilane
CID 87366
Trisiloxane, 1,5-diethenyl-1,1,5,5-tetramethyl-3,3-diphenyl-
CID 87707
Tert-butyl(3-iodopropoxy)diphenylsilane
CID 11177744
Trisiloxane, 1,1,5,5-tetramethyl-3,3-diphenyl-
CID 6335362
Tetrasiloxane, 3,5-bis((dimethylsilyl)oxy)-1,1,7,7-tetramethyl-3,5-diphenyl-
CID 6455369

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-diphenylsilane (CID 11224866) is tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-diphenylsilane is CC(C)(C)[Si](C)(C)OCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-diphenylsilane?
The InChIKey is AWARXSBAVOSZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44O2Si2/c1-26(2,3)30(7,8)28-22-16-11-17-23-29-31(27(4,5)6,24-18-12-9-13-19-24)25-20-14-10-15-21-25/h9-10,12-15,18-21H,11,16-17,22-23H2,1-8H3.
What are the key properties of tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-diphenylsilane?
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-diphenylsilane has a molecular weight of 456.82 g/mol, XLogP of 6.76, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-diphenylsilane is sourced from PubChem (CID 11224866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).