trihexyl(octoxy)silane

C26H56OSi — CID 533029

IUPACtrihexyl(octoxy)silane
SMILESCCCCCCCCO[Si](CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/C26H56OSi/c1-5-9-13-17-18-19-23-27-28(24-20-14-10-6-2,25-21-15-11-7-3)26-22-16-12-8-4/h5-26H2,1-4H3
InChIKeyOJIYLDKHFBOSTR-UHFFFAOYSA-N
MW412.82 g/mol
LogP10.05
Rot. Bonds23

About trihexyl(octoxy)silane

trihexyl(octoxy)silane (PubChem CID 533029) has the molecular formula C26H56OSi and a molecular weight of 412.82 g/mol. Its IUPAC name is trihexyl(octoxy)silane.

Molecular Properties

Compound Nametrihexyl(octoxy)silane
PubChem CID533029
Molecular FormulaC26H56OSi
Molecular Weight412.82 g/mol
Exact Mass412.41
IUPAC Nametrihexyl(octoxy)silane
SMILESCCCCCCCCO[Si](CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/C26H56OSi/c1-5-9-13-17-18-19-23-27-28(24-20-14-10-6-2,25-21-15-11-7-3)26-22-16-12-8-4/h5-26H2,1-4H3
InChIKeyOJIYLDKHFBOSTR-UHFFFAOYSA-N
XLogP10.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.82
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 trihexyl(octoxy)silane?
The IUPAC name of trihexyl(octoxy)silane (CID 533029) is trihexyl(octoxy)silane.
What is the SMILES notation for trihexyl(octoxy)silane?
The canonical SMILES for trihexyl(octoxy)silane is CCCCCCCCO[Si](CCCCCC)(CCCCCC)CCCCCC.
What is the InChIKey of trihexyl(octoxy)silane?
The InChIKey is OJIYLDKHFBOSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56OSi/c1-5-9-13-17-18-19-23-27-28(24-20-14-10-6-2,25-21-15-11-7-3)26-22-16-12-8-4/h5-26H2,1-4H3.
What are the key properties of trihexyl(octoxy)silane?
trihexyl(octoxy)silane has a molecular weight of 412.82 g/mol, XLogP of 10.05, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trihexyl(octoxy)silane is sourced from PubChem (CID 533029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).