trihexyl-[(E)-undec-2-enoxy]silane

C29H60OSi — CID 5353196

IUPACtrihexyl-[(E)-undec-2-enoxy]silane
SMILESCCCCCCCC/C=C/CO[Si](CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/C29H60OSi/c1-5-9-13-17-18-19-20-21-22-26-30-31(27-23-14-10-6-2,28-24-15-11-7-3)29-25-16-12-8-4/h21-22H,5-20,23-29H2,1-4H3/b22-21+
InChIKeyAPDWCXNPQUBQOP-QURGRASLSA-N
MW452.88 g/mol
LogP11.00
Rot. Bonds25

About trihexyl-[(E)-undec-2-enoxy]silane

trihexyl-[(E)-undec-2-enoxy]silane (PubChem CID 5353196) has the molecular formula C29H60OSi and a molecular weight of 452.88 g/mol. Its IUPAC name is trihexyl-[(E)-undec-2-enoxy]silane.

Molecular Properties

Compound Nametrihexyl-[(E)-undec-2-enoxy]silane
PubChem CID5353196
Molecular FormulaC29H60OSi
Molecular Weight452.88 g/mol
Exact Mass452.44
IUPAC Nametrihexyl-[(E)-undec-2-enoxy]silane
SMILESCCCCCCCC/C=C/CO[Si](CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/C29H60OSi/c1-5-9-13-17-18-19-20-21-22-26-30-31(27-23-14-10-6-2,28-24-15-11-7-3)29-25-16-12-8-4/h21-22H,5-20,23-29H2,1-4H3/b22-21+
InChIKeyAPDWCXNPQUBQOP-QURGRASLSA-N
XLogP11.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.88
LogP ≤ 511.00
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

Geraniol, tert-butyldimethylsilyl ether
CID 6536899
2-Decen-1-ol, (E)-, TMS derivative
CID 14970964
Farnesol, tert-butyldimethylsilyl ether
CID 10337114
1-Triisobutylsilyloxyundec-2-ene
CID 5353181
1-Trimethylsilyoxylundec-2-ene
CID 5353184
1-Dimethylisopropylsilyloxyundec-2-ene
CID 5353188
2-Dimethyloctylsilyloxyoct-3-ene
CID 5353190
1-Dimethyloctylsilyloxyundec-2-ene
CID 5353191
2-Tripropylsilyloxyoct-3-ene
CID 5353192
1-Tripropylsilyloxyundec-2-ene
CID 5353193
2-Trihexylsilyloxyoct-3-ene
CID 5353195
2-Tributylsilyloxyoct-3-ene
CID 5353200

Frequently Asked Questions

What is the IUPAC name of trihexyl-[(E)-undec-2-enoxy]silane?
The IUPAC name of trihexyl-[(E)-undec-2-enoxy]silane (CID 5353196) is trihexyl-[(E)-undec-2-enoxy]silane.
What is the SMILES notation for trihexyl-[(E)-undec-2-enoxy]silane?
The canonical SMILES for trihexyl-[(E)-undec-2-enoxy]silane is CCCCCCCC/C=C/CO[Si](CCCCCC)(CCCCCC)CCCCCC.
What is the InChIKey of trihexyl-[(E)-undec-2-enoxy]silane?
The InChIKey is APDWCXNPQUBQOP-QURGRASLSA-N. The full InChI is InChI=1S/C29H60OSi/c1-5-9-13-17-18-19-20-21-22-26-30-31(27-23-14-10-6-2,28-24-15-11-7-3)29-25-16-12-8-4/h21-22H,5-20,23-29H2,1-4H3/b22-21+.
What are the key properties of trihexyl-[(E)-undec-2-enoxy]silane?
trihexyl-[(E)-undec-2-enoxy]silane has a molecular weight of 452.88 g/mol, XLogP of 11.00, 25 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trihexyl-[(E)-undec-2-enoxy]silane is sourced from PubChem (CID 5353196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).