(3-ethylphenoxy)-diphenyl-tetradecoxysilane

C34H48O2Si — CID 91745916

IUPAC(3-ethylphenoxy)-diphenyl-tetradecoxysilane
SMILESCCCCCCCCCCCCCCO[Si](Oc1cccc(CC)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H48O2Si/c1-3-5-6-7-8-9-10-11-12-13-14-21-29-35-37(33-25-17-15-18-26-33,34-27-19-16-20-28-34)36-32-24-22-23-31(4-2)30-32/h15-20,22-28,30H,3-14,21,29H2,1-2H3
InChIKeyYGQFZRGIJKTYRA-UHFFFAOYSA-N
MW516.84 g/mol
LogP8.60
Rot. Bonds19

About (3-ethylphenoxy)-diphenyl-tetradecoxysilane

(3-ethylphenoxy)-diphenyl-tetradecoxysilane (PubChem CID 91745916) has the molecular formula C34H48O2Si and a molecular weight of 516.84 g/mol. Its IUPAC name is (3-ethylphenoxy)-diphenyl-tetradecoxysilane.

Molecular Properties

Compound Name(3-ethylphenoxy)-diphenyl-tetradecoxysilane
PubChem CID91745916
Molecular FormulaC34H48O2Si
Molecular Weight516.84 g/mol
Exact Mass516.34
IUPAC Name(3-ethylphenoxy)-diphenyl-tetradecoxysilane
SMILESCCCCCCCCCCCCCCO[Si](Oc1cccc(CC)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H48O2Si/c1-3-5-6-7-8-9-10-11-12-13-14-21-29-35-37(33-25-17-15-18-26-33,34-27-19-16-20-28-34)36-32-24-22-23-31(4-2)30-32/h15-20,22-28,30H,3-14,21,29H2,1-2H3
InChIKeyYGQFZRGIJKTYRA-UHFFFAOYSA-N
XLogP8.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.84
LogP ≤ 58.60
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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Frequently Asked Questions

What is the IUPAC name of (3-ethylphenoxy)-diphenyl-tetradecoxysilane?
The IUPAC name of (3-ethylphenoxy)-diphenyl-tetradecoxysilane (CID 91745916) is (3-ethylphenoxy)-diphenyl-tetradecoxysilane.
What is the SMILES notation for (3-ethylphenoxy)-diphenyl-tetradecoxysilane?
The canonical SMILES for (3-ethylphenoxy)-diphenyl-tetradecoxysilane is CCCCCCCCCCCCCCO[Si](Oc1cccc(CC)c1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3-ethylphenoxy)-diphenyl-tetradecoxysilane?
The InChIKey is YGQFZRGIJKTYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48O2Si/c1-3-5-6-7-8-9-10-11-12-13-14-21-29-35-37(33-25-17-15-18-26-33,34-27-19-16-20-28-34)36-32-24-22-23-31(4-2)30-32/h15-20,22-28,30H,3-14,21,29H2,1-2H3.
What are the key properties of (3-ethylphenoxy)-diphenyl-tetradecoxysilane?
(3-ethylphenoxy)-diphenyl-tetradecoxysilane has a molecular weight of 516.84 g/mol, XLogP of 8.60, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylphenoxy)-diphenyl-tetradecoxysilane is sourced from PubChem (CID 91745916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).