diethyl-hexoxy-(2-phenylethoxy)silane

C18H32O2Si — CID 91740585

IUPACdiethyl-hexoxy-(2-phenylethoxy)silane
SMILESCCCCCCO[Si](CC)(CC)OCCc1ccccc1
InChIInChI=1S/C18H32O2Si/c1-4-7-8-12-16-19-21(5-2,6-3)20-17-15-18-13-10-9-11-14-18/h9-11,13-14H,4-8,12,15-17H2,1-3H3
InChIKeyHBJTWQFOAFJYQJ-UHFFFAOYSA-N
MW308.54 g/mol
LogP5.32
Rot. Bonds12

About diethyl-hexoxy-(2-phenylethoxy)silane

diethyl-hexoxy-(2-phenylethoxy)silane (PubChem CID 91740585) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is diethyl-hexoxy-(2-phenylethoxy)silane.

Molecular Properties

Compound Namediethyl-hexoxy-(2-phenylethoxy)silane
PubChem CID91740585
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Namediethyl-hexoxy-(2-phenylethoxy)silane
SMILESCCCCCCO[Si](CC)(CC)OCCc1ccccc1
InChIInChI=1S/C18H32O2Si/c1-4-7-8-12-16-19-21(5-2,6-3)20-17-15-18-13-10-9-11-14-18/h9-11,13-14H,4-8,12,15-17H2,1-3H3
InChIKeyHBJTWQFOAFJYQJ-UHFFFAOYSA-N
XLogP5.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.32
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

decoxy-diethyl-nonoxysilane
CID 91743782
diethyl-pentadecoxy-tridecoxysilane
CID 91745757
diethyl-pentadecoxy-tetradecoxysilane
CID 91745841
dodecoxy-diethyl-octoxysilane
CID 91744145
diethyl-hexoxy-undecoxysilane
CID 91742902
diethyl-pentoxy-undecoxysilane
CID 91742318
diethyl-nonoxy-pentoxysilane
CID 91741088
2-pentoxyethylbenzene
CID 3022447
3-decoxypropylbenzene
CID 150065328
4-octadecoxybutylbenzene
CID 70977182
5-pentoxypentylbenzene
CID 19046566
diethyl-(1-phenylpropoxy)-undecoxysilane
CID 91743912

Frequently Asked Questions

What is the IUPAC name of diethyl-hexoxy-(2-phenylethoxy)silane?
The IUPAC name of diethyl-hexoxy-(2-phenylethoxy)silane (CID 91740585) is diethyl-hexoxy-(2-phenylethoxy)silane.
What is the SMILES notation for diethyl-hexoxy-(2-phenylethoxy)silane?
The canonical SMILES for diethyl-hexoxy-(2-phenylethoxy)silane is CCCCCCO[Si](CC)(CC)OCCc1ccccc1.
What is the InChIKey of diethyl-hexoxy-(2-phenylethoxy)silane?
The InChIKey is HBJTWQFOAFJYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-4-7-8-12-16-19-21(5-2,6-3)20-17-15-18-13-10-9-11-14-18/h9-11,13-14H,4-8,12,15-17H2,1-3H3.
What are the key properties of diethyl-hexoxy-(2-phenylethoxy)silane?
diethyl-hexoxy-(2-phenylethoxy)silane has a molecular weight of 308.54 g/mol, XLogP of 5.32, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-hexoxy-(2-phenylethoxy)silane is sourced from PubChem (CID 91740585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).