benzyl-dimethyl-[(1E,3E,5E)-7-(oxan-2-yloxy)hepta-1,3,5-trienyl]silane

C21H30O2Si — CID 11416602

IUPACbenzyl-dimethyl-[(1E,3E,5E)-7-(oxan-2-yloxy)hepta-1,3,5-trienyl]silane
SMILESC[Si](C)(/C=C/C=C/C=C/COC1CCCCO1)Cc1ccccc1
InChIInChI=1S/C21H30O2Si/c1-24(2,19-20-13-7-6-8-14-20)18-12-5-3-4-10-16-22-21-15-9-11-17-23-21/h3-8,10,12-14,18,21H,9,11,15-17,19H2,1-2H3/b5-3+,10-4+,18-12+
InChIKeySFSJCWCIGOADDG-JGPHJKEUSA-N
MW342.56 g/mol
LogP5.23
Rot. Bonds8

About benzyl-dimethyl-[(1E,3E,5E)-7-(oxan-2-yloxy)hepta-1,3,5-trienyl]silane

benzyl-dimethyl-[(1E,3E,5E)-7-(oxan-2-yloxy)hepta-1,3,5-trienyl]silane (PubChem CID 11416602) has the molecular formula C21H30O2Si and a molecular weight of 342.56 g/mol. Its IUPAC name is benzyl-dimethyl-[(1E,3E,5E)-7-(oxan-2-yloxy)hepta-1,3,5-trienyl]silane.

Molecular Properties

Compound Namebenzyl-dimethyl-[(1E,3E,5E)-7-(oxan-2-yloxy)hepta-1,3,5-trienyl]silane
PubChem CID11416602
Molecular FormulaC21H30O2Si
Molecular Weight342.56 g/mol
Exact Mass342.20
IUPAC Namebenzyl-dimethyl-[(1E,3E,5E)-7-(oxan-2-yloxy)hepta-1,3,5-trienyl]silane
SMILESC[Si](C)(/C=C/C=C/C=C/COC1CCCCO1)Cc1ccccc1
InChIInChI=1S/C21H30O2Si/c1-24(2,19-20-13-7-6-8-14-20)18-12-5-3-4-10-16-22-21-15-9-11-17-23-21/h3-8,10,12-14,18,21H,9,11,15-17,19H2,1-2H3/b5-3+,10-4+,18-12+
InChIKeySFSJCWCIGOADDG-JGPHJKEUSA-N
XLogP5.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.56
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 benzyl-dimethyl-[(1E,3E,5E)-7-(oxan-2-yloxy)hepta-1,3,5-trienyl]silane?
The IUPAC name of benzyl-dimethyl-[(1E,3E,5E)-7-(oxan-2-yloxy)hepta-1,3,5-trienyl]silane (CID 11416602) is benzyl-dimethyl-[(1E,3E,5E)-7-(oxan-2-yloxy)hepta-1,3,5-trienyl]silane.
What is the SMILES notation for benzyl-dimethyl-[(1E,3E,5E)-7-(oxan-2-yloxy)hepta-1,3,5-trienyl]silane?
The canonical SMILES for benzyl-dimethyl-[(1E,3E,5E)-7-(oxan-2-yloxy)hepta-1,3,5-trienyl]silane is C[Si](C)(/C=C/C=C/C=C/COC1CCCCO1)Cc1ccccc1.
What is the InChIKey of benzyl-dimethyl-[(1E,3E,5E)-7-(oxan-2-yloxy)hepta-1,3,5-trienyl]silane?
The InChIKey is SFSJCWCIGOADDG-JGPHJKEUSA-N. The full InChI is InChI=1S/C21H30O2Si/c1-24(2,19-20-13-7-6-8-14-20)18-12-5-3-4-10-16-22-21-15-9-11-17-23-21/h3-8,10,12-14,18,21H,9,11,15-17,19H2,1-2H3/b5-3+,10-4+,18-12+.
What are the key properties of benzyl-dimethyl-[(1E,3E,5E)-7-(oxan-2-yloxy)hepta-1,3,5-trienyl]silane?
benzyl-dimethyl-[(1E,3E,5E)-7-(oxan-2-yloxy)hepta-1,3,5-trienyl]silane has a molecular weight of 342.56 g/mol, XLogP of 5.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-dimethyl-[(1E,3E,5E)-7-(oxan-2-yloxy)hepta-1,3,5-trienyl]silane is sourced from PubChem (CID 11416602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).