tetrakis[dimethyl(3-naphthalen-1-ylpropyl)silyl] silicate

C60H76O4Si5 — CID 58856778

IUPACtetrakis[dimethyl(3-naphthalen-1-ylpropyl)silyl] silicate
SMILESC[Si](C)(CCCc1cccc2ccccc12)O[Si](O[Si](C)(C)CCCc1cccc2ccccc12)(O[Si](C)(C)CCCc1cccc2ccccc12)O[Si](C)(C)CCCc1cccc2ccccc12
InChIInChI=1S/C60H76O4Si5/c1-65(2,45-21-37-53-33-17-29-49-25-9-13-41-57(49)53)61-69(62-66(3,4)46-22-38-54-34-18-30-50-26-10-14-42-58(50)54,63-67(5,6)47-23-39-55-35-19-31-51-27-11-15-43-59(51)55)64-68(7,8)48-24-40-56-36-20-32-52-28-12-16-44-60(52)56/h9-20,25-36,41-44H,21-24,37-40,45-48H2,1-8H3
InChIKeyCTTAUEZOEUSYEW-UHFFFAOYSA-N
MW1001.69 g/mol
LogP17.45
Rot. Bonds24

About tetrakis[dimethyl(3-naphthalen-1-ylpropyl)silyl] silicate

tetrakis[dimethyl(3-naphthalen-1-ylpropyl)silyl] silicate (PubChem CID 58856778) has the molecular formula C60H76O4Si5 and a molecular weight of 1001.69 g/mol. Its IUPAC name is tetrakis[dimethyl(3-naphthalen-1-ylpropyl)silyl] silicate.

Molecular Properties

Compound Nametetrakis[dimethyl(3-naphthalen-1-ylpropyl)silyl] silicate
PubChem CID58856778
Molecular FormulaC60H76O4Si5
Molecular Weight1001.69 g/mol
Exact Mass1000.46
IUPAC Nametetrakis[dimethyl(3-naphthalen-1-ylpropyl)silyl] silicate
SMILESC[Si](C)(CCCc1cccc2ccccc12)O[Si](O[Si](C)(C)CCCc1cccc2ccccc12)(O[Si](C)(C)CCCc1cccc2ccccc12)O[Si](C)(C)CCCc1cccc2ccccc12
InChIInChI=1S/C60H76O4Si5/c1-65(2,45-21-37-53-33-17-29-49-25-9-13-41-57(49)53)61-69(62-66(3,4)46-22-38-54-34-18-30-50-26-10-14-42-58(50)54,63-67(5,6)47-23-39-55-35-19-31-51-27-11-15-43-59(51)55)64-68(7,8)48-24-40-56-36-20-32-52-28-12-16-44-60(52)56/h9-20,25-36,41-44H,21-24,37-40,45-48H2,1-8H3
InChIKeyCTTAUEZOEUSYEW-UHFFFAOYSA-N
XLogP17.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.69
LogP ≤ 517.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-(4-naphthalen-1-ylbutyl)-phenylsilane
CID 102040276
tributyl(2-naphthalen-1-ylethyl)silane
CID 140900135
1-[3-(3-naphthalen-1-ylpropoxy)propyl]naphthalene
CID 139748426
1-butylnaphthalene;ethane
CID 142087052
1-(4-methoxybutyl)naphthalene
CID 69278949
2-[3-[[[[[[[[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol
CID 123229460
azane;1-butylnaphthalene;methane
CID 174691035
1-tetradecylnaphthalene
CID 14402128
3-naphthalen-1-ylpropan-1-ol
CID 14711518
1-(4-fluorobutyl)naphthalene
CID 174977280
2-naphthalen-1-ylethyl-tri(propan-2-yl)silane
CID 176778541
potassium;hydride;1-octylnaphthalene
CID 173443599

Frequently Asked Questions

What is the IUPAC name of tetrakis[dimethyl(3-naphthalen-1-ylpropyl)silyl] silicate?
The IUPAC name of tetrakis[dimethyl(3-naphthalen-1-ylpropyl)silyl] silicate (CID 58856778) is tetrakis[dimethyl(3-naphthalen-1-ylpropyl)silyl] silicate.
What is the SMILES notation for tetrakis[dimethyl(3-naphthalen-1-ylpropyl)silyl] silicate?
The canonical SMILES for tetrakis[dimethyl(3-naphthalen-1-ylpropyl)silyl] silicate is C[Si](C)(CCCc1cccc2ccccc12)O[Si](O[Si](C)(C)CCCc1cccc2ccccc12)(O[Si](C)(C)CCCc1cccc2ccccc12)O[Si](C)(C)CCCc1cccc2ccccc12.
What is the InChIKey of tetrakis[dimethyl(3-naphthalen-1-ylpropyl)silyl] silicate?
The InChIKey is CTTAUEZOEUSYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H76O4Si5/c1-65(2,45-21-37-53-33-17-29-49-25-9-13-41-57(49)53)61-69(62-66(3,4)46-22-38-54-34-18-30-50-26-10-14-42-58(50)54,63-67(5,6)47-23-39-55-35-19-31-51-27-11-15-43-59(51)55)64-68(7,8)48-24-40-56-36-20-32-52-28-12-16-44-60(52)56/h9-20,25-36,41-44H,21-24,37-40,45-48H2,1-8H3.
What are the key properties of tetrakis[dimethyl(3-naphthalen-1-ylpropyl)silyl] silicate?
tetrakis[dimethyl(3-naphthalen-1-ylpropyl)silyl] silicate has a molecular weight of 1001.69 g/mol, XLogP of 17.45, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis[dimethyl(3-naphthalen-1-ylpropyl)silyl] silicate is sourced from PubChem (CID 58856778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).