trihexyl-(2-propan-2-yloxyphenoxy)silane

C27H50O2Si — CID 530902

IUPACtrihexyl-(2-propan-2-yloxyphenoxy)silane
SMILESCCCCCC[Si](CCCCCC)(CCCCCC)Oc1ccccc1OC(C)C
InChIInChI=1S/C27H50O2Si/c1-6-9-12-17-22-30(23-18-13-10-7-2,24-19-14-11-8-3)29-27-21-16-15-20-26(27)28-25(4)5/h15-16,20-21,25H,6-14,17-19,22-24H2,1-5H3
InChIKeyHVSLUZBKCGRMQA-UHFFFAOYSA-N
MW434.78 g/mol
LogP9.54
Rot. Bonds19

About trihexyl-(2-propan-2-yloxyphenoxy)silane

trihexyl-(2-propan-2-yloxyphenoxy)silane (PubChem CID 530902) has the molecular formula C27H50O2Si and a molecular weight of 434.78 g/mol. Its IUPAC name is trihexyl-(2-propan-2-yloxyphenoxy)silane.

Molecular Properties

Compound Nametrihexyl-(2-propan-2-yloxyphenoxy)silane
PubChem CID530902
Molecular FormulaC27H50O2Si
Molecular Weight434.78 g/mol
Exact Mass434.36
IUPAC Nametrihexyl-(2-propan-2-yloxyphenoxy)silane
SMILESCCCCCC[Si](CCCCCC)(CCCCCC)Oc1ccccc1OC(C)C
InChIInChI=1S/C27H50O2Si/c1-6-9-12-17-22-30(23-18-13-10-7-2,24-19-14-11-8-3)29-27-21-16-15-20-26(27)28-25(4)5/h15-16,20-21,25H,6-14,17-19,22-24H2,1-5H3
InChIKeyHVSLUZBKCGRMQA-UHFFFAOYSA-N
XLogP9.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.78
LogP ≤ 59.54
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 trihexyl-(2-propan-2-yloxyphenoxy)silane?
The IUPAC name of trihexyl-(2-propan-2-yloxyphenoxy)silane (CID 530902) is trihexyl-(2-propan-2-yloxyphenoxy)silane.
What is the SMILES notation for trihexyl-(2-propan-2-yloxyphenoxy)silane?
The canonical SMILES for trihexyl-(2-propan-2-yloxyphenoxy)silane is CCCCCC[Si](CCCCCC)(CCCCCC)Oc1ccccc1OC(C)C.
What is the InChIKey of trihexyl-(2-propan-2-yloxyphenoxy)silane?
The InChIKey is HVSLUZBKCGRMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50O2Si/c1-6-9-12-17-22-30(23-18-13-10-7-2,24-19-14-11-8-3)29-27-21-16-15-20-26(27)28-25(4)5/h15-16,20-21,25H,6-14,17-19,22-24H2,1-5H3.
What are the key properties of trihexyl-(2-propan-2-yloxyphenoxy)silane?
trihexyl-(2-propan-2-yloxyphenoxy)silane has a molecular weight of 434.78 g/mol, XLogP of 9.54, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trihexyl-(2-propan-2-yloxyphenoxy)silane is sourced from PubChem (CID 530902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).