tris(3-hexadecoxyphenyl)-hydroxysilane

C66H112O4Si — CID 22342077

IUPACtris(3-hexadecoxyphenyl)-hydroxysilane
SMILESCCCCCCCCCCCCCCCCOc1cccc([Si](O)(c2cccc(OCCCCCCCCCCCCCCCC)c2)c2cccc(OCCCCCCCCCCCCCCCC)c2)c1
InChIInChI=1S/C66H112O4Si/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-55-68-61-49-46-52-64(58-61)71(67,65-53-47-50-62(59-65)69-56-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)66-54-48-51-63(60-66)70-57-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h46-54,58-60,67H,4-45,55-57H2,1-3H3
InChIKeyVSTQTYVIQNSDDH-UHFFFAOYSA-N
MW997.70 g/mol
LogP19.23
Rot. Bonds51

About tris(3-hexadecoxyphenyl)-hydroxysilane

tris(3-hexadecoxyphenyl)-hydroxysilane (PubChem CID 22342077) has the molecular formula C66H112O4Si and a molecular weight of 997.70 g/mol. Its IUPAC name is tris(3-hexadecoxyphenyl)-hydroxysilane.

Molecular Properties

Compound Nametris(3-hexadecoxyphenyl)-hydroxysilane
PubChem CID22342077
Molecular FormulaC66H112O4Si
Molecular Weight997.70 g/mol
Exact Mass996.83
IUPAC Nametris(3-hexadecoxyphenyl)-hydroxysilane
SMILESCCCCCCCCCCCCCCCCOc1cccc([Si](O)(c2cccc(OCCCCCCCCCCCCCCCC)c2)c2cccc(OCCCCCCCCCCCCCCCC)c2)c1
InChIInChI=1S/C66H112O4Si/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-55-68-61-49-46-52-64(58-61)71(67,65-53-47-50-62(59-65)69-56-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)66-54-48-51-63(60-66)70-57-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h46-54,58-60,67H,4-45,55-57H2,1-3H3
InChIKeyVSTQTYVIQNSDDH-UHFFFAOYSA-N
XLogP19.23
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds51
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.70
LogP ≤ 519.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1,3-dihexadecoxybenzene
CID 12686834
3-dodecoxyphenol
CID 15719132
1-methyl-3-pentadecoxybenzene
CID 154641822
1-hexadecoxy-3-methylbenzene
CID 154641790
1,2-bis(3-hexoxyphenyl)ethane-1,2-dione
CID 71777687
1,3-bis(2-hexoxyethoxy)benzene
CID 118037379
(3-hexoxyphenyl)boronic acid
CID 43145336
bis(4-docosoxyphenyl)-dihydroxysilane
CID 69138050
azane;1-ethoxy-3-pentoxybenzene
CID 68858003
sodium 3-octoxyphenolate
CID 159078373
1-(methoxymethoxy)-3-octoxybenzene
CID 175530197
1-(3-henicosoxyphenyl)ethanone
CID 23127401

Frequently Asked Questions

What is the IUPAC name of tris(3-hexadecoxyphenyl)-hydroxysilane?
The IUPAC name of tris(3-hexadecoxyphenyl)-hydroxysilane (CID 22342077) is tris(3-hexadecoxyphenyl)-hydroxysilane.
What is the SMILES notation for tris(3-hexadecoxyphenyl)-hydroxysilane?
The canonical SMILES for tris(3-hexadecoxyphenyl)-hydroxysilane is CCCCCCCCCCCCCCCCOc1cccc([Si](O)(c2cccc(OCCCCCCCCCCCCCCCC)c2)c2cccc(OCCCCCCCCCCCCCCCC)c2)c1.
What is the InChIKey of tris(3-hexadecoxyphenyl)-hydroxysilane?
The InChIKey is VSTQTYVIQNSDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H112O4Si/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-55-68-61-49-46-52-64(58-61)71(67,65-53-47-50-62(59-65)69-56-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)66-54-48-51-63(60-66)70-57-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h46-54,58-60,67H,4-45,55-57H2,1-3H3.
What are the key properties of tris(3-hexadecoxyphenyl)-hydroxysilane?
tris(3-hexadecoxyphenyl)-hydroxysilane has a molecular weight of 997.70 g/mol, XLogP of 19.23, 51 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-hexadecoxyphenyl)-hydroxysilane is sourced from PubChem (CID 22342077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).