methyl-tris(octadec-9-enoxy)silane

C55H108O3Si — CID 91284347

IUPACmethyl-tris(octadec-9-enoxy)silane
SMILESCCCCCCCCC=CCCCCCCCCO[Si](C)(OCCCCCCCCC=CCCCCCCCC)OCCCCCCCCC=CCCCCCCCC
InChIInChI=1S/C55H108O3Si/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-53-56-59(4,57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)58-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3/h26-31H,5-25,32-55H2,1-4H3
InChIKeyCPQFZSZPXPJCLI-UHFFFAOYSA-N
MW845.55 g/mol
LogP19.72
Rot. Bonds51

About methyl-tris(octadec-9-enoxy)silane

methyl-tris(octadec-9-enoxy)silane (PubChem CID 91284347) has the molecular formula C55H108O3Si and a molecular weight of 845.55 g/mol. Its IUPAC name is methyl-tris(octadec-9-enoxy)silane.

Molecular Properties

Compound Namemethyl-tris(octadec-9-enoxy)silane
PubChem CID91284347
Molecular FormulaC55H108O3Si
Molecular Weight845.55 g/mol
Exact Mass844.81
IUPAC Namemethyl-tris(octadec-9-enoxy)silane
SMILESCCCCCCCCC=CCCCCCCCCO[Si](C)(OCCCCCCCCC=CCCCCCCCC)OCCCCCCCCC=CCCCCCCCC
InChIInChI=1S/C55H108O3Si/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-53-56-59(4,57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)58-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3/h26-31H,5-25,32-55H2,1-4H3
InChIKeyCPQFZSZPXPJCLI-UHFFFAOYSA-N
XLogP19.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds51
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.55
LogP ≤ 519.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

triheptoxy(methyl)silane
CID 525768
tri(icosoxy)-methylsilane
CID 163923848
hexadecoxy-dimethyl-[(E)-undec-2-enoxy]silane
CID 91743719
tert-butyl-dimethyl-[(Z)-tetracos-15-enoxy]silane
CID 6430267
tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
CID 6430269
hexoxy-dimethyl-[(E)-undec-2-enoxy]silane
CID 91734985
tert-butyl-dimethyl-[(E)-octadec-6-enoxy]silane
CID 6430282
(Z)-tricos-11-ene
CID 5356790
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102

Frequently Asked Questions

What is the IUPAC name of methyl-tris(octadec-9-enoxy)silane?
The IUPAC name of methyl-tris(octadec-9-enoxy)silane (CID 91284347) is methyl-tris(octadec-9-enoxy)silane.
What is the SMILES notation for methyl-tris(octadec-9-enoxy)silane?
The canonical SMILES for methyl-tris(octadec-9-enoxy)silane is CCCCCCCCC=CCCCCCCCCO[Si](C)(OCCCCCCCCC=CCCCCCCCC)OCCCCCCCCC=CCCCCCCCC.
What is the InChIKey of methyl-tris(octadec-9-enoxy)silane?
The InChIKey is CPQFZSZPXPJCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H108O3Si/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-53-56-59(4,57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)58-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3/h26-31H,5-25,32-55H2,1-4H3.
What are the key properties of methyl-tris(octadec-9-enoxy)silane?
methyl-tris(octadec-9-enoxy)silane has a molecular weight of 845.55 g/mol, XLogP of 19.72, 51 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-tris(octadec-9-enoxy)silane is sourced from PubChem (CID 91284347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).