trihexyl-[(E)-pent-2-en-4-ynoxy]silane

C23H44OSi — CID 22212196

IUPACtrihexyl-[(E)-pent-2-en-4-ynoxy]silane
SMILESC#C/C=C/CO[Si](CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/C23H44OSi/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4/h4,12,16H,5-7,9-11,13-15,17-23H2,1-3H3/b16-12+
InChIKeyBUZZRUDDTJXGEC-FOWTUZBSSA-N
MW364.69 g/mol
LogP7.88
Rot. Bonds18

About trihexyl-[(E)-pent-2-en-4-ynoxy]silane

trihexyl-[(E)-pent-2-en-4-ynoxy]silane (PubChem CID 22212196) has the molecular formula C23H44OSi and a molecular weight of 364.69 g/mol. Its IUPAC name is trihexyl-[(E)-pent-2-en-4-ynoxy]silane.

Molecular Properties

Compound Nametrihexyl-[(E)-pent-2-en-4-ynoxy]silane
PubChem CID22212196
Molecular FormulaC23H44OSi
Molecular Weight364.69 g/mol
Exact Mass364.32
IUPAC Nametrihexyl-[(E)-pent-2-en-4-ynoxy]silane
SMILESC#C/C=C/CO[Si](CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/C23H44OSi/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4/h4,12,16H,5-7,9-11,13-15,17-23H2,1-3H3/b16-12+
InChIKeyBUZZRUDDTJXGEC-FOWTUZBSSA-N
XLogP7.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.69
LogP ≤ 57.88
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trihexyl-[(E)-pent-2-en-4-ynoxy]silane?
The IUPAC name of trihexyl-[(E)-pent-2-en-4-ynoxy]silane (CID 22212196) is trihexyl-[(E)-pent-2-en-4-ynoxy]silane.
What is the SMILES notation for trihexyl-[(E)-pent-2-en-4-ynoxy]silane?
The canonical SMILES for trihexyl-[(E)-pent-2-en-4-ynoxy]silane is C#C/C=C/CO[Si](CCCCCC)(CCCCCC)CCCCCC.
What is the InChIKey of trihexyl-[(E)-pent-2-en-4-ynoxy]silane?
The InChIKey is BUZZRUDDTJXGEC-FOWTUZBSSA-N. The full InChI is InChI=1S/C23H44OSi/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4/h4,12,16H,5-7,9-11,13-15,17-23H2,1-3H3/b16-12+.
What are the key properties of trihexyl-[(E)-pent-2-en-4-ynoxy]silane?
trihexyl-[(E)-pent-2-en-4-ynoxy]silane has a molecular weight of 364.69 g/mol, XLogP of 7.88, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trihexyl-[(E)-pent-2-en-4-ynoxy]silane is sourced from PubChem (CID 22212196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).