butoxy-decan-2-yloxy-diphenylsilane

C26H40O2Si — CID 91738959

IUPACbutoxy-decan-2-yloxy-diphenylsilane
SMILESCCCCCCCCC(C)O[Si](OCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H40O2Si/c1-4-6-8-9-10-13-18-24(3)28-29(27-23-7-5-2,25-19-14-11-15-20-25)26-21-16-12-17-22-26/h11-12,14-17,19-22,24H,4-10,13,18,23H2,1-3H3
InChIKeyZSQJJIFWDSWBJX-UHFFFAOYSA-N
MW412.69 g/mol
LogP6.22
Rot. Bonds15

About butoxy-decan-2-yloxy-diphenylsilane

butoxy-decan-2-yloxy-diphenylsilane (PubChem CID 91738959) has the molecular formula C26H40O2Si and a molecular weight of 412.69 g/mol. Its IUPAC name is butoxy-decan-2-yloxy-diphenylsilane.

Molecular Properties

Compound Namebutoxy-decan-2-yloxy-diphenylsilane
PubChem CID91738959
Molecular FormulaC26H40O2Si
Molecular Weight412.69 g/mol
Exact Mass412.28
IUPAC Namebutoxy-decan-2-yloxy-diphenylsilane
SMILESCCCCCCCCC(C)O[Si](OCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H40O2Si/c1-4-6-8-9-10-13-18-24(3)28-29(27-23-7-5-2,25-19-14-11-15-20-25)26-21-16-12-17-22-26/h11-12,14-17,19-22,24H,4-10,13,18,23H2,1-3H3
InChIKeyZSQJJIFWDSWBJX-UHFFFAOYSA-N
XLogP6.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.69
LogP ≤ 56.22
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-decan-2-yloxy-diphenylsilane?
The IUPAC name of butoxy-decan-2-yloxy-diphenylsilane (CID 91738959) is butoxy-decan-2-yloxy-diphenylsilane.
What is the SMILES notation for butoxy-decan-2-yloxy-diphenylsilane?
The canonical SMILES for butoxy-decan-2-yloxy-diphenylsilane is CCCCCCCCC(C)O[Si](OCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of butoxy-decan-2-yloxy-diphenylsilane?
The InChIKey is ZSQJJIFWDSWBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O2Si/c1-4-6-8-9-10-13-18-24(3)28-29(27-23-7-5-2,25-19-14-11-15-20-25)26-21-16-12-17-22-26/h11-12,14-17,19-22,24H,4-10,13,18,23H2,1-3H3.
What are the key properties of butoxy-decan-2-yloxy-diphenylsilane?
butoxy-decan-2-yloxy-diphenylsilane has a molecular weight of 412.69 g/mol, XLogP of 6.22, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-decan-2-yloxy-diphenylsilane is sourced from PubChem (CID 91738959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).