butoxy-tert-butyl-diphenylsilane

C20H28OSi — CID 3597126

IUPACbutoxy-tert-butyl-diphenylsilane
SMILESCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H28OSi/c1-5-6-17-21-22(20(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16H,5-6,17H2,1-4H3
InChIKeyPGAGLUJULYHXDG-UHFFFAOYSA-N
MW312.53 g/mol
LogP4.36
Rot. Bonds6

About butoxy-tert-butyl-diphenylsilane

butoxy-tert-butyl-diphenylsilane (PubChem CID 3597126) has the molecular formula C20H28OSi and a molecular weight of 312.53 g/mol. Its IUPAC name is butoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Namebutoxy-tert-butyl-diphenylsilane
PubChem CID3597126
Molecular FormulaC20H28OSi
Molecular Weight312.53 g/mol
Exact Mass312.19
IUPAC Namebutoxy-tert-butyl-diphenylsilane
SMILESCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H28OSi/c1-5-6-17-21-22(20(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16H,5-6,17H2,1-4H3
InChIKeyPGAGLUJULYHXDG-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-tert-butyl-diphenylsilane?
The IUPAC name of butoxy-tert-butyl-diphenylsilane (CID 3597126) is butoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for butoxy-tert-butyl-diphenylsilane?
The canonical SMILES for butoxy-tert-butyl-diphenylsilane is CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of butoxy-tert-butyl-diphenylsilane?
The InChIKey is PGAGLUJULYHXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28OSi/c1-5-6-17-21-22(20(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16H,5-6,17H2,1-4H3.
What are the key properties of butoxy-tert-butyl-diphenylsilane?
butoxy-tert-butyl-diphenylsilane has a molecular weight of 312.53 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 3597126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).