butoxy-ethenyl-methyl-(2-methylpentan-3-yloxy)silane

C13H28O2Si — CID 91718375

IUPACbutoxy-ethenyl-methyl-(2-methylpentan-3-yloxy)silane
SMILESC=C[Si](C)(OCCCC)OC(CC)C(C)C
InChIInChI=1S/C13H28O2Si/c1-7-10-11-14-16(6,9-3)15-13(8-2)12(4)5/h9,12-13H,3,7-8,10-11H2,1-2,4-6H3
InChIKeyXYANJJUUJNWFRQ-UHFFFAOYSA-N
MW244.45 g/mol
LogP4.05
Rot. Bonds9

About butoxy-ethenyl-methyl-(2-methylpentan-3-yloxy)silane

butoxy-ethenyl-methyl-(2-methylpentan-3-yloxy)silane (PubChem CID 91718375) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is butoxy-ethenyl-methyl-(2-methylpentan-3-yloxy)silane.

Molecular Properties

Compound Namebutoxy-ethenyl-methyl-(2-methylpentan-3-yloxy)silane
PubChem CID91718375
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Namebutoxy-ethenyl-methyl-(2-methylpentan-3-yloxy)silane
SMILESC=C[Si](C)(OCCCC)OC(CC)C(C)C
InChIInChI=1S/C13H28O2Si/c1-7-10-11-14-16(6,9-3)15-13(8-2)12(4)5/h9,12-13H,3,7-8,10-11H2,1-2,4-6H3
InChIKeyXYANJJUUJNWFRQ-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.05
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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Frequently Asked Questions

What is the IUPAC name of butoxy-ethenyl-methyl-(2-methylpentan-3-yloxy)silane?
The IUPAC name of butoxy-ethenyl-methyl-(2-methylpentan-3-yloxy)silane (CID 91718375) is butoxy-ethenyl-methyl-(2-methylpentan-3-yloxy)silane.
What is the SMILES notation for butoxy-ethenyl-methyl-(2-methylpentan-3-yloxy)silane?
The canonical SMILES for butoxy-ethenyl-methyl-(2-methylpentan-3-yloxy)silane is C=C[Si](C)(OCCCC)OC(CC)C(C)C.
What is the InChIKey of butoxy-ethenyl-methyl-(2-methylpentan-3-yloxy)silane?
The InChIKey is XYANJJUUJNWFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-7-10-11-14-16(6,9-3)15-13(8-2)12(4)5/h9,12-13H,3,7-8,10-11H2,1-2,4-6H3.
What are the key properties of butoxy-ethenyl-methyl-(2-methylpentan-3-yloxy)silane?
butoxy-ethenyl-methyl-(2-methylpentan-3-yloxy)silane has a molecular weight of 244.45 g/mol, XLogP of 4.05, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-ethenyl-methyl-(2-methylpentan-3-yloxy)silane is sourced from PubChem (CID 91718375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).