dibutoxy(diethyl)silane

C12H28O2Si — CID 525736

IUPACdibutoxy(diethyl)silane
SMILESCCCCO[Si](CC)(CC)OCCCC
InChIInChI=1S/C12H28O2Si/c1-5-9-11-13-15(7-3,8-4)14-12-10-6-2/h5-12H2,1-4H3
InChIKeyMGQFVQQCNPBJKC-UHFFFAOYSA-N
MW232.44 g/mol
LogP4.10
Rot. Bonds10

About dibutoxy(diethyl)silane

dibutoxy(diethyl)silane (PubChem CID 525736) has the molecular formula C12H28O2Si and a molecular weight of 232.44 g/mol. Its IUPAC name is dibutoxy(diethyl)silane.

Molecular Properties

Compound Namedibutoxy(diethyl)silane
PubChem CID525736
Molecular FormulaC12H28O2Si
Molecular Weight232.44 g/mol
Exact Mass232.19
IUPAC Namedibutoxy(diethyl)silane
SMILESCCCCO[Si](CC)(CC)OCCCC
InChIInChI=1S/C12H28O2Si/c1-5-9-11-13-15(7-3,8-4)14-12-10-6-2/h5-12H2,1-4H3
InChIKeyMGQFVQQCNPBJKC-UHFFFAOYSA-N
XLogP4.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.44
LogP ≤ 54.10
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 dibutoxy(diethyl)silane?
The IUPAC name of dibutoxy(diethyl)silane (CID 525736) is dibutoxy(diethyl)silane.
What is the SMILES notation for dibutoxy(diethyl)silane?
The canonical SMILES for dibutoxy(diethyl)silane is CCCCO[Si](CC)(CC)OCCCC.
What is the InChIKey of dibutoxy(diethyl)silane?
The InChIKey is MGQFVQQCNPBJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O2Si/c1-5-9-11-13-15(7-3,8-4)14-12-10-6-2/h5-12H2,1-4H3.
What are the key properties of dibutoxy(diethyl)silane?
dibutoxy(diethyl)silane has a molecular weight of 232.44 g/mol, XLogP of 4.10, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy(diethyl)silane is sourced from PubChem (CID 525736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).