tris(2-ethylhexyl)-methylsilane

C25H54Si — CID 12780624

IUPACtris(2-ethylhexyl)-methylsilane
SMILESCCCCC(CC)C[Si](C)(CC(CC)CCCC)CC(CC)CCCC
InChIInChI=1S/C25H54Si/c1-8-14-17-23(11-4)20-26(7,21-24(12-5)18-15-9-2)22-25(13-6)19-16-10-3/h23-25H,8-22H2,1-7H3
InChIKeyNABJZRUZDCQCDG-UHFFFAOYSA-N
MW382.79 g/mol
LogP9.71
Rot. Bonds18

About tris(2-ethylhexyl)-methylsilane

tris(2-ethylhexyl)-methylsilane (PubChem CID 12780624) has the molecular formula C25H54Si and a molecular weight of 382.79 g/mol. Its IUPAC name is tris(2-ethylhexyl)-methylsilane.

Molecular Properties

Compound Nametris(2-ethylhexyl)-methylsilane
PubChem CID12780624
Molecular FormulaC25H54Si
Molecular Weight382.79 g/mol
Exact Mass382.40
IUPAC Nametris(2-ethylhexyl)-methylsilane
SMILESCCCCC(CC)C[Si](C)(CC(CC)CCCC)CC(CC)CCCC
InChIInChI=1S/C25H54Si/c1-8-14-17-23(11-4)20-26(7,21-24(12-5)18-15-9-2)22-25(13-6)19-16-10-3/h23-25H,8-22H2,1-7H3
InChIKeyNABJZRUZDCQCDG-UHFFFAOYSA-N
XLogP9.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.79
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 tris(2-ethylhexyl)-methylsilane?
The IUPAC name of tris(2-ethylhexyl)-methylsilane (CID 12780624) is tris(2-ethylhexyl)-methylsilane.
What is the SMILES notation for tris(2-ethylhexyl)-methylsilane?
The canonical SMILES for tris(2-ethylhexyl)-methylsilane is CCCCC(CC)C[Si](C)(CC(CC)CCCC)CC(CC)CCCC.
What is the InChIKey of tris(2-ethylhexyl)-methylsilane?
The InChIKey is NABJZRUZDCQCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54Si/c1-8-14-17-23(11-4)20-26(7,21-24(12-5)18-15-9-2)22-25(13-6)19-16-10-3/h23-25H,8-22H2,1-7H3.
What are the key properties of tris(2-ethylhexyl)-methylsilane?
tris(2-ethylhexyl)-methylsilane has a molecular weight of 382.79 g/mol, XLogP of 9.71, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-ethylhexyl)-methylsilane is sourced from PubChem (CID 12780624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).