diethyl-heptoxy-(4-methoxy-2-methylbutoxy)silane

C17H38O3Si — CID 91733336

IUPACdiethyl-heptoxy-(4-methoxy-2-methylbutoxy)silane
SMILESCCCCCCCO[Si](CC)(CC)OCC(C)CCOC
InChIInChI=1S/C17H38O3Si/c1-6-9-10-11-12-14-19-21(7-2,8-3)20-16-17(4)13-15-18-5/h17H,6-16H2,1-5H3
InChIKeyVRHVVFHHDUEUSD-UHFFFAOYSA-N
MW318.57 g/mol
LogP5.14
Rot. Bonds15

About diethyl-heptoxy-(4-methoxy-2-methylbutoxy)silane

diethyl-heptoxy-(4-methoxy-2-methylbutoxy)silane (PubChem CID 91733336) has the molecular formula C17H38O3Si and a molecular weight of 318.57 g/mol. Its IUPAC name is diethyl-heptoxy-(4-methoxy-2-methylbutoxy)silane.

Molecular Properties

Compound Namediethyl-heptoxy-(4-methoxy-2-methylbutoxy)silane
PubChem CID91733336
Molecular FormulaC17H38O3Si
Molecular Weight318.57 g/mol
Exact Mass318.26
IUPAC Namediethyl-heptoxy-(4-methoxy-2-methylbutoxy)silane
SMILESCCCCCCCO[Si](CC)(CC)OCC(C)CCOC
InChIInChI=1S/C17H38O3Si/c1-6-9-10-11-12-14-19-21(7-2,8-3)20-16-17(4)13-15-18-5/h17H,6-16H2,1-5H3
InChIKeyVRHVVFHHDUEUSD-UHFFFAOYSA-N
XLogP5.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.57
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1,7-heptanediol, tBDMS
CID 6427123
Silane, diethylisohexyloxy(2-octyloxy)-
CID 91698413
Silane, dimethyl(dimethyl(2-ethylbutoxy)silyloxy)dodecyloxy-
CID 91721100
Silane, dimethyl(dimethyl(2-ethylbutoxy)silyloxy)octyloxy-
CID 91721109
Silane, dimethyl(dimethyl(2-methylbutoxy)silyloxy)heptyloxy-
CID 91721110
Silane, dimethyl(dimethyl(2-methylbutoxy)silyloxy)dodecyloxy-
CID 91721111
Silane, dimethyl(dimethyl(2-ethylbutoxy)silyloxy)heptyloxy-
CID 91721165
Silane, dimethyl(dimethyl(3-methylpentyloxy)silyloxy)heptyloxy-
CID 91721186
Silane, diethyl(2-methyl-4-methoxybutoxy)pentyloxy-
CID 91726790
Silane, diethylhexyloxy(2-methyl-4-methoxybutoxy)-
CID 91730418
Silane, diethyl(2-methyl-4-methoxybutoxy)octyloxy-
CID 91735306
1-(2-Methylbutoxy)-7-heptyl-2,2,4,4,6,6-hexamethyl-1,3,5,7-tetraoxa-2,4,6-trisilaheptane
CID 91736050

Frequently Asked Questions

What is the IUPAC name of diethyl-heptoxy-(4-methoxy-2-methylbutoxy)silane?
The IUPAC name of diethyl-heptoxy-(4-methoxy-2-methylbutoxy)silane (CID 91733336) is diethyl-heptoxy-(4-methoxy-2-methylbutoxy)silane.
What is the SMILES notation for diethyl-heptoxy-(4-methoxy-2-methylbutoxy)silane?
The canonical SMILES for diethyl-heptoxy-(4-methoxy-2-methylbutoxy)silane is CCCCCCCO[Si](CC)(CC)OCC(C)CCOC.
What is the InChIKey of diethyl-heptoxy-(4-methoxy-2-methylbutoxy)silane?
The InChIKey is VRHVVFHHDUEUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O3Si/c1-6-9-10-11-12-14-19-21(7-2,8-3)20-16-17(4)13-15-18-5/h17H,6-16H2,1-5H3.
What are the key properties of diethyl-heptoxy-(4-methoxy-2-methylbutoxy)silane?
diethyl-heptoxy-(4-methoxy-2-methylbutoxy)silane has a molecular weight of 318.57 g/mol, XLogP of 5.14, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-heptoxy-(4-methoxy-2-methylbutoxy)silane is sourced from PubChem (CID 91733336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).