6-butyl-2,2,3,3,4,4,6-heptamethyloxatrisilinane

C13H32OSi3 — CID 68511371

IUPAC6-butyl-2,2,3,3,4,4,6-heptamethyloxatrisilinane
SMILESCCCCC1(C)C[Si](C)(C)[Si](C)(C)[Si](C)(C)O1
InChIInChI=1S/C13H32OSi3/c1-9-10-11-13(2)12-15(3,4)17(7,8)16(5,6)14-13/h9-12H2,1-8H3
InChIKeyCJSRIWMZQWLEHT-UHFFFAOYSA-N
MW288.66 g/mol
LogP4.74
Rot. Bonds3

About 6-butyl-2,2,3,3,4,4,6-heptamethyloxatrisilinane

6-butyl-2,2,3,3,4,4,6-heptamethyloxatrisilinane (PubChem CID 68511371) has the molecular formula C13H32OSi3 and a molecular weight of 288.66 g/mol. Its IUPAC name is 6-butyl-2,2,3,3,4,4,6-heptamethyloxatrisilinane.

Molecular Properties

Compound Name6-butyl-2,2,3,3,4,4,6-heptamethyloxatrisilinane
PubChem CID68511371
Molecular FormulaC13H32OSi3
Molecular Weight288.66 g/mol
Exact Mass288.18
IUPAC Name6-butyl-2,2,3,3,4,4,6-heptamethyloxatrisilinane
SMILESCCCCC1(C)C[Si](C)(C)[Si](C)(C)[Si](C)(C)O1
InChIInChI=1S/C13H32OSi3/c1-9-10-11-13(2)12-15(3,4)17(7,8)16(5,6)14-13/h9-12H2,1-8H3
InChIKeyCJSRIWMZQWLEHT-UHFFFAOYSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.66
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-2,2,3,3,4,4,6-heptamethyloxatrisilinane?
The IUPAC name of 6-butyl-2,2,3,3,4,4,6-heptamethyloxatrisilinane (CID 68511371) is 6-butyl-2,2,3,3,4,4,6-heptamethyloxatrisilinane.
What is the SMILES notation for 6-butyl-2,2,3,3,4,4,6-heptamethyloxatrisilinane?
The canonical SMILES for 6-butyl-2,2,3,3,4,4,6-heptamethyloxatrisilinane is CCCCC1(C)C[Si](C)(C)[Si](C)(C)[Si](C)(C)O1.
What is the InChIKey of 6-butyl-2,2,3,3,4,4,6-heptamethyloxatrisilinane?
The InChIKey is CJSRIWMZQWLEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32OSi3/c1-9-10-11-13(2)12-15(3,4)17(7,8)16(5,6)14-13/h9-12H2,1-8H3.
What are the key properties of 6-butyl-2,2,3,3,4,4,6-heptamethyloxatrisilinane?
6-butyl-2,2,3,3,4,4,6-heptamethyloxatrisilinane has a molecular weight of 288.66 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2,2,3,3,4,4,6-heptamethyloxatrisilinane is sourced from PubChem (CID 68511371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).