2-ethylhexoxy-tris(2-methylpropyl)silane

C20H44OSi — CID 612112

IUPAC2-ethylhexoxy-tris(2-methylpropyl)silane
SMILESCCCCC(CC)CO[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C20H44OSi/c1-9-11-12-20(10-2)13-21-22(14-17(3)4,15-18(5)6)16-19(7)8/h17-20H,9-16H2,1-8H3
InChIKeyZXUQWFTWBQOYNT-UHFFFAOYSA-N
MW328.66 g/mol
LogP7.13
Rot. Bonds13

About 2-ethylhexoxy-tris(2-methylpropyl)silane

2-ethylhexoxy-tris(2-methylpropyl)silane (PubChem CID 612112) has the molecular formula C20H44OSi and a molecular weight of 328.66 g/mol. Its IUPAC name is 2-ethylhexoxy-tris(2-methylpropyl)silane.

Molecular Properties

Compound Name2-ethylhexoxy-tris(2-methylpropyl)silane
PubChem CID612112
Molecular FormulaC20H44OSi
Molecular Weight328.66 g/mol
Exact Mass328.32
IUPAC Name2-ethylhexoxy-tris(2-methylpropyl)silane
SMILESCCCCC(CC)CO[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C20H44OSi/c1-9-11-12-20(10-2)13-21-22(14-17(3)4,15-18(5)6)16-19(7)8/h17-20H,9-16H2,1-8H3
InChIKeyZXUQWFTWBQOYNT-UHFFFAOYSA-N
XLogP7.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.66
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethylhexoxy-tris(2-methylpropyl)silane?
The IUPAC name of 2-ethylhexoxy-tris(2-methylpropyl)silane (CID 612112) is 2-ethylhexoxy-tris(2-methylpropyl)silane.
What is the SMILES notation for 2-ethylhexoxy-tris(2-methylpropyl)silane?
The canonical SMILES for 2-ethylhexoxy-tris(2-methylpropyl)silane is CCCCC(CC)CO[Si](CC(C)C)(CC(C)C)CC(C)C.
What is the InChIKey of 2-ethylhexoxy-tris(2-methylpropyl)silane?
The InChIKey is ZXUQWFTWBQOYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44OSi/c1-9-11-12-20(10-2)13-21-22(14-17(3)4,15-18(5)6)16-19(7)8/h17-20H,9-16H2,1-8H3.
What are the key properties of 2-ethylhexoxy-tris(2-methylpropyl)silane?
2-ethylhexoxy-tris(2-methylpropyl)silane has a molecular weight of 328.66 g/mol, XLogP of 7.13, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexoxy-tris(2-methylpropyl)silane is sourced from PubChem (CID 612112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).