trihexyl-[(E)-oct-3-en-2-yl]oxysilane

C26H54OSi — CID 5353195

IUPACtrihexyl-[(E)-oct-3-en-2-yl]oxysilane
SMILESCCCC/C=C/C(C)O[Si](CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/C26H54OSi/c1-6-10-14-18-22-26(5)27-28(23-19-15-11-7-2,24-20-16-12-8-3)25-21-17-13-9-4/h18,22,26H,6-17,19-21,23-25H2,1-5H3/b22-18+
InChIKeyXYBNYKZPQOGTDS-RELWKKBWSA-N
MW410.80 g/mol
LogP9.82
Rot. Bonds21

About trihexyl-[(E)-oct-3-en-2-yl]oxysilane

trihexyl-[(E)-oct-3-en-2-yl]oxysilane (PubChem CID 5353195) has the molecular formula C26H54OSi and a molecular weight of 410.80 g/mol. Its IUPAC name is trihexyl-[(E)-oct-3-en-2-yl]oxysilane.

Molecular Properties

Compound Nametrihexyl-[(E)-oct-3-en-2-yl]oxysilane
PubChem CID5353195
Molecular FormulaC26H54OSi
Molecular Weight410.80 g/mol
Exact Mass410.39
IUPAC Nametrihexyl-[(E)-oct-3-en-2-yl]oxysilane
SMILESCCCC/C=C/C(C)O[Si](CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/C26H54OSi/c1-6-10-14-18-22-26(5)27-28(23-19-15-11-7-2,24-20-16-12-8-3)25-21-17-13-9-4/h18,22,26H,6-17,19-21,23-25H2,1-5H3/b22-18+
InChIKeyXYBNYKZPQOGTDS-RELWKKBWSA-N
XLogP9.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.80
LogP ≤ 59.82
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

trimethyl(oct-3-en-2-yloxy)silane
CID 531269
triheptyl(propan-2-yloxy)silane
CID 178181529
(Z)-2-methyloct-3-ene;octane
CID 159051061
methyl [(E)-oct-3-en-2-yl] carbonate
CID 14170336
7-methylhexadec-5-ene
CID 150059561
(5E,9E)-nonacosa-5,9-diene
CID 56936191
heptadeca-5,9-diene
CID 123203573
1-hex-3-en-2-yloxyoctadecane
CID 151809974
undec-3-en-2-ol
CID 174515693
2-chlorodec-3-ene
CID 71337420
3-methyltetradec-4-ene
CID 123180851
docos-5-ene
CID 54227700

Frequently Asked Questions

What is the IUPAC name of trihexyl-[(E)-oct-3-en-2-yl]oxysilane?
The IUPAC name of trihexyl-[(E)-oct-3-en-2-yl]oxysilane (CID 5353195) is trihexyl-[(E)-oct-3-en-2-yl]oxysilane.
What is the SMILES notation for trihexyl-[(E)-oct-3-en-2-yl]oxysilane?
The canonical SMILES for trihexyl-[(E)-oct-3-en-2-yl]oxysilane is CCCC/C=C/C(C)O[Si](CCCCCC)(CCCCCC)CCCCCC.
What is the InChIKey of trihexyl-[(E)-oct-3-en-2-yl]oxysilane?
The InChIKey is XYBNYKZPQOGTDS-RELWKKBWSA-N. The full InChI is InChI=1S/C26H54OSi/c1-6-10-14-18-22-26(5)27-28(23-19-15-11-7-2,24-20-16-12-8-3)25-21-17-13-9-4/h18,22,26H,6-17,19-21,23-25H2,1-5H3/b22-18+.
What are the key properties of trihexyl-[(E)-oct-3-en-2-yl]oxysilane?
trihexyl-[(E)-oct-3-en-2-yl]oxysilane has a molecular weight of 410.80 g/mol, XLogP of 9.82, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trihexyl-[(E)-oct-3-en-2-yl]oxysilane is sourced from PubChem (CID 5353195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).