diethyl-(4-methylpentan-2-yloxy)-octadecoxysilane

C28H60O2Si — CID 91745192

IUPACdiethyl-(4-methylpentan-2-yloxy)-octadecoxysilane
SMILESCCCCCCCCCCCCCCCCCCO[Si](CC)(CC)OC(C)CC(C)C
InChIInChI=1S/C28H60O2Si/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-31(8-2,9-3)30-28(6)26-27(4)5/h27-28H,7-26H2,1-6H3
InChIKeyDAJBYTHGNBAJMJ-UHFFFAOYSA-N
MW456.87 g/mol
LogP10.20
Rot. Bonds24

About diethyl-(4-methylpentan-2-yloxy)-octadecoxysilane

diethyl-(4-methylpentan-2-yloxy)-octadecoxysilane (PubChem CID 91745192) has the molecular formula C28H60O2Si and a molecular weight of 456.87 g/mol. Its IUPAC name is diethyl-(4-methylpentan-2-yloxy)-octadecoxysilane.

Molecular Properties

Compound Namediethyl-(4-methylpentan-2-yloxy)-octadecoxysilane
PubChem CID91745192
Molecular FormulaC28H60O2Si
Molecular Weight456.87 g/mol
Exact Mass456.44
IUPAC Namediethyl-(4-methylpentan-2-yloxy)-octadecoxysilane
SMILESCCCCCCCCCCCCCCCCCCO[Si](CC)(CC)OC(C)CC(C)C
InChIInChI=1S/C28H60O2Si/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-31(8-2,9-3)30-28(6)26-27(4)5/h27-28H,7-26H2,1-6H3
InChIKeyDAJBYTHGNBAJMJ-UHFFFAOYSA-N
XLogP10.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.87
LogP ≤ 510.20
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

diethyl-octadecoxy-pentan-2-yloxysilane
CID 91744997
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
diethyl-hexadecoxy-(2-methylpropoxy)silane
CID 91744158
diethyl-(3-methylbutoxy)-pentadecoxysilane
CID 91744142
diethyl-(2-methylpentan-3-yloxy)-octadecoxysilane
CID 91745188
diethyl-heptadecoxy-(2-methylpentan-3-yloxy)silane
CID 91745000

Frequently Asked Questions

What is the IUPAC name of diethyl-(4-methylpentan-2-yloxy)-octadecoxysilane?
The IUPAC name of diethyl-(4-methylpentan-2-yloxy)-octadecoxysilane (CID 91745192) is diethyl-(4-methylpentan-2-yloxy)-octadecoxysilane.
What is the SMILES notation for diethyl-(4-methylpentan-2-yloxy)-octadecoxysilane?
The canonical SMILES for diethyl-(4-methylpentan-2-yloxy)-octadecoxysilane is CCCCCCCCCCCCCCCCCCO[Si](CC)(CC)OC(C)CC(C)C.
What is the InChIKey of diethyl-(4-methylpentan-2-yloxy)-octadecoxysilane?
The InChIKey is DAJBYTHGNBAJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60O2Si/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-31(8-2,9-3)30-28(6)26-27(4)5/h27-28H,7-26H2,1-6H3.
What are the key properties of diethyl-(4-methylpentan-2-yloxy)-octadecoxysilane?
diethyl-(4-methylpentan-2-yloxy)-octadecoxysilane has a molecular weight of 456.87 g/mol, XLogP of 10.20, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(4-methylpentan-2-yloxy)-octadecoxysilane is sourced from PubChem (CID 91745192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).