triethyl-[(1E)-2-methyl-1-phenylundeca-1,3,4-trien-3-yl]oxysilane

C24H38OSi — CID 46895399

IUPACtriethyl-[(1E)-2-methyl-1-phenylundeca-1,3,4-trien-3-yl]oxysilane
SMILESCCCCCCC=C=C(O[Si](CC)(CC)CC)/C(C)=C/c1ccccc1
InChIInChI=1S/C24H38OSi/c1-6-10-11-12-13-17-20-24(25-26(7-2,8-3)9-4)22(5)21-23-18-15-14-16-19-23/h14-19,21H,6-13H2,1-5H3/b22-21+
InChIKeyDOWOUGKISMGPJS-QURGRASLSA-N
MW370.65 g/mol
LogP8.12
Rot. Bonds12

About triethyl-[(1E)-2-methyl-1-phenylundeca-1,3,4-trien-3-yl]oxysilane

triethyl-[(1E)-2-methyl-1-phenylundeca-1,3,4-trien-3-yl]oxysilane (PubChem CID 46895399) has the molecular formula C24H38OSi and a molecular weight of 370.65 g/mol. Its IUPAC name is triethyl-[(1E)-2-methyl-1-phenylundeca-1,3,4-trien-3-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(1E)-2-methyl-1-phenylundeca-1,3,4-trien-3-yl]oxysilane
PubChem CID46895399
Molecular FormulaC24H38OSi
Molecular Weight370.65 g/mol
Exact Mass370.27
IUPAC Nametriethyl-[(1E)-2-methyl-1-phenylundeca-1,3,4-trien-3-yl]oxysilane
SMILESCCCCCCC=C=C(O[Si](CC)(CC)CC)/C(C)=C/c1ccccc1
InChIInChI=1S/C24H38OSi/c1-6-10-11-12-13-17-20-24(25-26(7-2,8-3)9-4)22(5)21-23-18-15-14-16-19-23/h14-19,21H,6-13H2,1-5H3/b22-21+
InChIKeyDOWOUGKISMGPJS-QURGRASLSA-N
XLogP8.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.65
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(1E)-2-methyl-1-phenylundeca-1,3,4-trien-3-yl]oxysilane?
The IUPAC name of triethyl-[(1E)-2-methyl-1-phenylundeca-1,3,4-trien-3-yl]oxysilane (CID 46895399) is triethyl-[(1E)-2-methyl-1-phenylundeca-1,3,4-trien-3-yl]oxysilane.
What is the SMILES notation for triethyl-[(1E)-2-methyl-1-phenylundeca-1,3,4-trien-3-yl]oxysilane?
The canonical SMILES for triethyl-[(1E)-2-methyl-1-phenylundeca-1,3,4-trien-3-yl]oxysilane is CCCCCCC=C=C(O[Si](CC)(CC)CC)/C(C)=C/c1ccccc1.
What is the InChIKey of triethyl-[(1E)-2-methyl-1-phenylundeca-1,3,4-trien-3-yl]oxysilane?
The InChIKey is DOWOUGKISMGPJS-QURGRASLSA-N. The full InChI is InChI=1S/C24H38OSi/c1-6-10-11-12-13-17-20-24(25-26(7-2,8-3)9-4)22(5)21-23-18-15-14-16-19-23/h14-19,21H,6-13H2,1-5H3/b22-21+.
What are the key properties of triethyl-[(1E)-2-methyl-1-phenylundeca-1,3,4-trien-3-yl]oxysilane?
triethyl-[(1E)-2-methyl-1-phenylundeca-1,3,4-trien-3-yl]oxysilane has a molecular weight of 370.65 g/mol, XLogP of 8.12, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1E)-2-methyl-1-phenylundeca-1,3,4-trien-3-yl]oxysilane is sourced from PubChem (CID 46895399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).