diethyl-heptoxy-(3-methylpentan-2-yloxy)silane

C17H38O2Si — CID 91738263

IUPACdiethyl-heptoxy-(3-methylpentan-2-yloxy)silane
SMILESCCCCCCCO[Si](CC)(CC)OC(C)C(C)CC
InChIInChI=1S/C17H38O2Si/c1-7-11-12-13-14-15-18-20(9-3,10-4)19-17(6)16(5)8-2/h16-17H,7-15H2,1-6H3
InChIKeyUODFPSJETVVYNJ-UHFFFAOYSA-N
MW302.58 g/mol
LogP5.91
Rot. Bonds13

About diethyl-heptoxy-(3-methylpentan-2-yloxy)silane

diethyl-heptoxy-(3-methylpentan-2-yloxy)silane (PubChem CID 91738263) has the molecular formula C17H38O2Si and a molecular weight of 302.58 g/mol. Its IUPAC name is diethyl-heptoxy-(3-methylpentan-2-yloxy)silane.

Molecular Properties

Compound Namediethyl-heptoxy-(3-methylpentan-2-yloxy)silane
PubChem CID91738263
Molecular FormulaC17H38O2Si
Molecular Weight302.58 g/mol
Exact Mass302.26
IUPAC Namediethyl-heptoxy-(3-methylpentan-2-yloxy)silane
SMILESCCCCCCCO[Si](CC)(CC)OC(C)C(C)CC
InChIInChI=1S/C17H38O2Si/c1-7-11-12-13-14-15-18-20(9-3,10-4)19-17(6)16(5)8-2/h16-17H,7-15H2,1-6H3
InChIKeyUODFPSJETVVYNJ-UHFFFAOYSA-N
XLogP5.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.58
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'}

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Related Compounds

Silane, dimethyldi(2-ethylhexyloxy)
CID 85694064
tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane
CID 11312646
(s)-t-Butyl(dimethyl)[(13-methylheptadecyl)oxy]silane
CID 146679947
2-decanol, tBDMS
CID 6430226
Silane, diethylisohexyloxy(2-octyloxy)-
CID 91698413
Silane, diethylisohexyloxy(4-octyloxy)-
CID 91698414
Silane, diethylisobutoxy(4-octyloxy)-
CID 91699659
Silane, diethyl(6-ethyloct-3-yloxy)propoxy-
CID 91714695
Silane, dimethyl(dimethyl(2-ethylbutoxy)silyloxy)dodecyloxy-
CID 91721100
Silane, dimethyl(dimethyl(2-ethylhexyloxy)silyloxy)isobutoxy-
CID 91721103
Silane, dimethyl(dimethyl(2-ethylhexyloxy)silyloxy)(2-ethylhexyloxy)-
CID 91721108
Silane, dimethyl(dimethyl(2-ethylbutoxy)silyloxy)octyloxy-
CID 91721109

Frequently Asked Questions

What is the IUPAC name of diethyl-heptoxy-(3-methylpentan-2-yloxy)silane?
The IUPAC name of diethyl-heptoxy-(3-methylpentan-2-yloxy)silane (CID 91738263) is diethyl-heptoxy-(3-methylpentan-2-yloxy)silane.
What is the SMILES notation for diethyl-heptoxy-(3-methylpentan-2-yloxy)silane?
The canonical SMILES for diethyl-heptoxy-(3-methylpentan-2-yloxy)silane is CCCCCCCO[Si](CC)(CC)OC(C)C(C)CC.
What is the InChIKey of diethyl-heptoxy-(3-methylpentan-2-yloxy)silane?
The InChIKey is UODFPSJETVVYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O2Si/c1-7-11-12-13-14-15-18-20(9-3,10-4)19-17(6)16(5)8-2/h16-17H,7-15H2,1-6H3.
What are the key properties of diethyl-heptoxy-(3-methylpentan-2-yloxy)silane?
diethyl-heptoxy-(3-methylpentan-2-yloxy)silane has a molecular weight of 302.58 g/mol, XLogP of 5.91, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-heptoxy-(3-methylpentan-2-yloxy)silane is sourced from PubChem (CID 91738263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).