trihexyl-(3-methylphenoxy)silane

C25H46OSi — CID 532624

IUPACtrihexyl-(3-methylphenoxy)silane
SMILESCCCCCC[Si](CCCCCC)(CCCCCC)Oc1cccc(C)c1
InChIInChI=1S/C25H46OSi/c1-5-8-11-14-20-27(21-15-12-9-6-2,22-16-13-10-7-3)26-25-19-17-18-24(4)23-25/h17-19,23H,5-16,20-22H2,1-4H3
InChIKeyPCPKSCZYUYCGQL-UHFFFAOYSA-N
MW390.73 g/mol
LogP9.06
Rot. Bonds17

About trihexyl-(3-methylphenoxy)silane

trihexyl-(3-methylphenoxy)silane (PubChem CID 532624) has the molecular formula C25H46OSi and a molecular weight of 390.73 g/mol. Its IUPAC name is trihexyl-(3-methylphenoxy)silane.

Molecular Properties

Compound Nametrihexyl-(3-methylphenoxy)silane
PubChem CID532624
Molecular FormulaC25H46OSi
Molecular Weight390.73 g/mol
Exact Mass390.33
IUPAC Nametrihexyl-(3-methylphenoxy)silane
SMILESCCCCCC[Si](CCCCCC)(CCCCCC)Oc1cccc(C)c1
InChIInChI=1S/C25H46OSi/c1-5-8-11-14-20-27(21-15-12-9-6-2,22-16-13-10-7-3)26-25-19-17-18-24(4)23-25/h17-19,23H,5-16,20-22H2,1-4H3
InChIKeyPCPKSCZYUYCGQL-UHFFFAOYSA-N
XLogP9.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.73
LogP ≤ 59.06
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-(3-methylphenoxy)silane?
The IUPAC name of trihexyl-(3-methylphenoxy)silane (CID 532624) is trihexyl-(3-methylphenoxy)silane.
What is the SMILES notation for trihexyl-(3-methylphenoxy)silane?
The canonical SMILES for trihexyl-(3-methylphenoxy)silane is CCCCCC[Si](CCCCCC)(CCCCCC)Oc1cccc(C)c1.
What is the InChIKey of trihexyl-(3-methylphenoxy)silane?
The InChIKey is PCPKSCZYUYCGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46OSi/c1-5-8-11-14-20-27(21-15-12-9-6-2,22-16-13-10-7-3)26-25-19-17-18-24(4)23-25/h17-19,23H,5-16,20-22H2,1-4H3.
What are the key properties of trihexyl-(3-methylphenoxy)silane?
trihexyl-(3-methylphenoxy)silane has a molecular weight of 390.73 g/mol, XLogP of 9.06, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trihexyl-(3-methylphenoxy)silane is sourced from PubChem (CID 532624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).