butoxy-diethyl-(2-propan-2-ylphenoxy)silane

C17H30O2Si — CID 91731489

IUPACbutoxy-diethyl-(2-propan-2-ylphenoxy)silane
SMILESCCCCO[Si](CC)(CC)Oc1ccccc1C(C)C
InChIInChI=1S/C17H30O2Si/c1-6-9-14-18-20(7-2,8-3)19-17-13-11-10-12-16(17)15(4)5/h10-13,15H,6-9,14H2,1-5H3
InChIKeyXHTGVVJAYCWKLR-UHFFFAOYSA-N
MW294.51 g/mol
LogP5.49
Rot. Bonds9

About butoxy-diethyl-(2-propan-2-ylphenoxy)silane

butoxy-diethyl-(2-propan-2-ylphenoxy)silane (PubChem CID 91731489) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is butoxy-diethyl-(2-propan-2-ylphenoxy)silane.

Molecular Properties

Compound Namebutoxy-diethyl-(2-propan-2-ylphenoxy)silane
PubChem CID91731489
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Namebutoxy-diethyl-(2-propan-2-ylphenoxy)silane
SMILESCCCCO[Si](CC)(CC)Oc1ccccc1C(C)C
InChIInChI=1S/C17H30O2Si/c1-6-9-14-18-20(7-2,8-3)19-17-13-11-10-12-16(17)15(4)5/h10-13,15H,6-9,14H2,1-5H3
InChIKeyXHTGVVJAYCWKLR-UHFFFAOYSA-N
XLogP5.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.51
LogP ≤ 55.49
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-(2-propan-2-ylphenoxy)silane?
The IUPAC name of butoxy-diethyl-(2-propan-2-ylphenoxy)silane (CID 91731489) is butoxy-diethyl-(2-propan-2-ylphenoxy)silane.
What is the SMILES notation for butoxy-diethyl-(2-propan-2-ylphenoxy)silane?
The canonical SMILES for butoxy-diethyl-(2-propan-2-ylphenoxy)silane is CCCCO[Si](CC)(CC)Oc1ccccc1C(C)C.
What is the InChIKey of butoxy-diethyl-(2-propan-2-ylphenoxy)silane?
The InChIKey is XHTGVVJAYCWKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-6-9-14-18-20(7-2,8-3)19-17-13-11-10-12-16(17)15(4)5/h10-13,15H,6-9,14H2,1-5H3.
What are the key properties of butoxy-diethyl-(2-propan-2-ylphenoxy)silane?
butoxy-diethyl-(2-propan-2-ylphenoxy)silane has a molecular weight of 294.51 g/mol, XLogP of 5.49, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-diethyl-(2-propan-2-ylphenoxy)silane is sourced from PubChem (CID 91731489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).