butoxy-diethyl-(3-methylbutoxy)silane

C13H30O2Si — CID 91735172

IUPACbutoxy-diethyl-(3-methylbutoxy)silane
SMILESCCCCO[Si](CC)(CC)OCCC(C)C
InChIInChI=1S/C13H30O2Si/c1-6-9-11-14-16(7-2,8-3)15-12-10-13(4)5/h13H,6-12H2,1-5H3
InChIKeyJYWXNXKQAKGYJO-UHFFFAOYSA-N
MW246.47 g/mol
LogP4.35
Rot. Bonds10

About butoxy-diethyl-(3-methylbutoxy)silane

butoxy-diethyl-(3-methylbutoxy)silane (PubChem CID 91735172) has the molecular formula C13H30O2Si and a molecular weight of 246.47 g/mol. Its IUPAC name is butoxy-diethyl-(3-methylbutoxy)silane.

Molecular Properties

Compound Namebutoxy-diethyl-(3-methylbutoxy)silane
PubChem CID91735172
Molecular FormulaC13H30O2Si
Molecular Weight246.47 g/mol
Exact Mass246.20
IUPAC Namebutoxy-diethyl-(3-methylbutoxy)silane
SMILESCCCCO[Si](CC)(CC)OCCC(C)C
InChIInChI=1S/C13H30O2Si/c1-6-9-11-14-16(7-2,8-3)15-12-10-13(4)5/h13H,6-12H2,1-5H3
InChIKeyJYWXNXKQAKGYJO-UHFFFAOYSA-N
XLogP4.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.47
LogP ≤ 54.35
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-diethyl-(3-methylbutoxy)silane?
The IUPAC name of butoxy-diethyl-(3-methylbutoxy)silane (CID 91735172) is butoxy-diethyl-(3-methylbutoxy)silane.
What is the SMILES notation for butoxy-diethyl-(3-methylbutoxy)silane?
The canonical SMILES for butoxy-diethyl-(3-methylbutoxy)silane is CCCCO[Si](CC)(CC)OCCC(C)C.
What is the InChIKey of butoxy-diethyl-(3-methylbutoxy)silane?
The InChIKey is JYWXNXKQAKGYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O2Si/c1-6-9-11-14-16(7-2,8-3)15-12-10-13(4)5/h13H,6-12H2,1-5H3.
What are the key properties of butoxy-diethyl-(3-methylbutoxy)silane?
butoxy-diethyl-(3-methylbutoxy)silane has a molecular weight of 246.47 g/mol, XLogP of 4.35, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-diethyl-(3-methylbutoxy)silane is sourced from PubChem (CID 91735172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).