diethyl-heptoxy-(4-methylpentoxy)silane

C17H38O2Si — CID 91740259

IUPACdiethyl-heptoxy-(4-methylpentoxy)silane
SMILESCCCCCCCO[Si](CC)(CC)OCCCC(C)C
InChIInChI=1S/C17H38O2Si/c1-6-9-10-11-12-15-18-20(7-2,8-3)19-16-13-14-17(4)5/h17H,6-16H2,1-5H3
InChIKeyZVTOLFXDCRELIE-UHFFFAOYSA-N
MW302.57 g/mol
LogP5.91
Rot. Bonds14

About diethyl-heptoxy-(4-methylpentoxy)silane

diethyl-heptoxy-(4-methylpentoxy)silane (PubChem CID 91740259) has the molecular formula C17H38O2Si and a molecular weight of 302.57 g/mol. Its IUPAC name is diethyl-heptoxy-(4-methylpentoxy)silane.

Molecular Properties

Compound Namediethyl-heptoxy-(4-methylpentoxy)silane
PubChem CID91740259
Molecular FormulaC17H38O2Si
Molecular Weight302.57 g/mol
Exact Mass302.26
IUPAC Namediethyl-heptoxy-(4-methylpentoxy)silane
SMILESCCCCCCCO[Si](CC)(CC)OCCCC(C)C
InChIInChI=1S/C17H38O2Si/c1-6-9-10-11-12-15-18-20(7-2,8-3)19-16-13-14-17(4)5/h17H,6-16H2,1-5H3
InChIKeyZVTOLFXDCRELIE-UHFFFAOYSA-N
XLogP5.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.57
LogP ≤ 55.91
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'}

Analyze diethyl-heptoxy-(4-methylpentoxy)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Silane, (decyloxy)(1,1-dimethylethyl)dimethyl-
CID 529143
Silane, (1,1-dimethylethyl)dimethyl(octadecyloxy)-
CID 529170
Tetradecyl tert-butyldimethylsilyl ether
CID 529187
Silane, dimethyldi(2-ethylhexyloxy)
CID 85694064
Diheptyloxydimethylsilane
CID 525743
Hexadecyl tert-butyldimethylsilyl ether
CID 529157
1,10-decanediol, tBDMS
CID 6430197
1,8-octanediol, tBDMS
CID 6430203
1-Triisopropylsilyloxyheptane
CID 615164
1-Dodecanol, DMTBS
CID 529148
Tert-butyl-heptadecoxy-dimethylsilane
CID 6429824
Tert-butyl-dimethyl-nonadecoxysilane
CID 6430216

Frequently Asked Questions

What is the IUPAC name of diethyl-heptoxy-(4-methylpentoxy)silane?
The IUPAC name of diethyl-heptoxy-(4-methylpentoxy)silane (CID 91740259) is diethyl-heptoxy-(4-methylpentoxy)silane.
What is the SMILES notation for diethyl-heptoxy-(4-methylpentoxy)silane?
The canonical SMILES for diethyl-heptoxy-(4-methylpentoxy)silane is CCCCCCCO[Si](CC)(CC)OCCCC(C)C.
What is the InChIKey of diethyl-heptoxy-(4-methylpentoxy)silane?
The InChIKey is ZVTOLFXDCRELIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O2Si/c1-6-9-10-11-12-15-18-20(7-2,8-3)19-16-13-14-17(4)5/h17H,6-16H2,1-5H3.
What are the key properties of diethyl-heptoxy-(4-methylpentoxy)silane?
diethyl-heptoxy-(4-methylpentoxy)silane has a molecular weight of 302.57 g/mol, XLogP of 5.91, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-heptoxy-(4-methylpentoxy)silane is sourced from PubChem (CID 91740259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).