diethyl-(1-phenylpropoxy)-undecoxysilane

C24H44O2Si — CID 91743912

IUPACdiethyl-(1-phenylpropoxy)-undecoxysilane
SMILESCCCCCCCCCCCO[Si](CC)(CC)OC(CC)c1ccccc1
InChIInChI=1S/C24H44O2Si/c1-5-9-10-11-12-13-14-15-19-22-25-27(7-3,8-4)26-24(6-2)23-20-17-16-18-21-23/h16-18,20-21,24H,5-15,19,22H2,1-4H3
InChIKeyJNYKQUGEWIVCMC-UHFFFAOYSA-N
MW392.70 g/mol
LogP8.18
Rot. Bonds17

About diethyl-(1-phenylpropoxy)-undecoxysilane

diethyl-(1-phenylpropoxy)-undecoxysilane (PubChem CID 91743912) has the molecular formula C24H44O2Si and a molecular weight of 392.70 g/mol. Its IUPAC name is diethyl-(1-phenylpropoxy)-undecoxysilane.

Molecular Properties

Compound Namediethyl-(1-phenylpropoxy)-undecoxysilane
PubChem CID91743912
Molecular FormulaC24H44O2Si
Molecular Weight392.70 g/mol
Exact Mass392.31
IUPAC Namediethyl-(1-phenylpropoxy)-undecoxysilane
SMILESCCCCCCCCCCCO[Si](CC)(CC)OC(CC)c1ccccc1
InChIInChI=1S/C24H44O2Si/c1-5-9-10-11-12-13-14-15-19-22-25-27(7-3,8-4)26-24(6-2)23-20-17-16-18-21-23/h16-18,20-21,24H,5-15,19,22H2,1-4H3
InChIKeyJNYKQUGEWIVCMC-UHFFFAOYSA-N
XLogP8.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.70
LogP ≤ 58.18
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

butoxy-diethyl-(1-phenylpropoxy)silane
CID 91739737
1-pentoxypropylbenzene
CID 57033372
diethyl-hexoxy-(2-phenylethoxy)silane
CID 91740585
decoxy-diethyl-nonoxysilane
CID 91743782
diethyl-pentadecoxy-tridecoxysilane
CID 91745757
diethyl-hexoxy-undecoxysilane
CID 91742902
diethyl-pentadecoxy-tetradecoxysilane
CID 91745841
dodecoxy-diethyl-octoxysilane
CID 91744145
diethyl-nonoxy-pentoxysilane
CID 91741088
diethyl-pentoxy-undecoxysilane
CID 91742318
(1,2-dihexoxy-2-phenylethyl)benzene
CID 14092843
diethyl-(2-methylpentan-3-yloxy)-octadecoxysilane
CID 91745188

Frequently Asked Questions

What is the IUPAC name of diethyl-(1-phenylpropoxy)-undecoxysilane?
The IUPAC name of diethyl-(1-phenylpropoxy)-undecoxysilane (CID 91743912) is diethyl-(1-phenylpropoxy)-undecoxysilane.
What is the SMILES notation for diethyl-(1-phenylpropoxy)-undecoxysilane?
The canonical SMILES for diethyl-(1-phenylpropoxy)-undecoxysilane is CCCCCCCCCCCO[Si](CC)(CC)OC(CC)c1ccccc1.
What is the InChIKey of diethyl-(1-phenylpropoxy)-undecoxysilane?
The InChIKey is JNYKQUGEWIVCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O2Si/c1-5-9-10-11-12-13-14-15-19-22-25-27(7-3,8-4)26-24(6-2)23-20-17-16-18-21-23/h16-18,20-21,24H,5-15,19,22H2,1-4H3.
What are the key properties of diethyl-(1-phenylpropoxy)-undecoxysilane?
diethyl-(1-phenylpropoxy)-undecoxysilane has a molecular weight of 392.70 g/mol, XLogP of 8.18, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(1-phenylpropoxy)-undecoxysilane is sourced from PubChem (CID 91743912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).