3,5-bis(ethenyl)-3,5-dimethyl-2,4,6,3,5-benzotrioxadisilonine-1,7-dione

C14H16O5Si2 — CID 14949094

IUPAC3,5-bis(ethenyl)-3,5-dimethyl-2,4,6,3,5-benzotrioxadisilonine-1,7-dione
SMILESC=C[Si]1(C)OC(=O)c2ccccc2C(=O)O[Si](C)(C=C)O1
InChIInChI=1S/C14H16O5Si2/c1-5-20(3)17-13(15)11-9-7-8-10-12(11)14(16)18-21(4,6-2)19-20/h5-10H,1-2H2,3-4H3
InChIKeyQUVVKUZHTWLHEH-UHFFFAOYSA-N
MW320.45 g/mol
LogP2.62
Rot. Bonds2

About 3,5-bis(ethenyl)-3,5-dimethyl-2,4,6,3,5-benzotrioxadisilonine-1,7-dione

3,5-bis(ethenyl)-3,5-dimethyl-2,4,6,3,5-benzotrioxadisilonine-1,7-dione (PubChem CID 14949094) has the molecular formula C14H16O5Si2 and a molecular weight of 320.45 g/mol. Its IUPAC name is 3,5-bis(ethenyl)-3,5-dimethyl-2,4,6,3,5-benzotrioxadisilonine-1,7-dione.

Molecular Properties

Compound Name3,5-bis(ethenyl)-3,5-dimethyl-2,4,6,3,5-benzotrioxadisilonine-1,7-dione
PubChem CID14949094
Molecular FormulaC14H16O5Si2
Molecular Weight320.45 g/mol
Exact Mass320.05
IUPAC Name3,5-bis(ethenyl)-3,5-dimethyl-2,4,6,3,5-benzotrioxadisilonine-1,7-dione
SMILESC=C[Si]1(C)OC(=O)c2ccccc2C(=O)O[Si](C)(C=C)O1
InChIInChI=1S/C14H16O5Si2/c1-5-20(3)17-13(15)11-9-7-8-10-12(11)14(16)18-21(4,6-2)19-20/h5-10H,1-2H2,3-4H3
InChIKeyQUVVKUZHTWLHEH-UHFFFAOYSA-N
XLogP2.62
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(ethenyl)-3,5-dimethyl-2,4,6,3,5-benzotrioxadisilonine-1,7-dione?
The IUPAC name of 3,5-bis(ethenyl)-3,5-dimethyl-2,4,6,3,5-benzotrioxadisilonine-1,7-dione (CID 14949094) is 3,5-bis(ethenyl)-3,5-dimethyl-2,4,6,3,5-benzotrioxadisilonine-1,7-dione.
What is the SMILES notation for 3,5-bis(ethenyl)-3,5-dimethyl-2,4,6,3,5-benzotrioxadisilonine-1,7-dione?
The canonical SMILES for 3,5-bis(ethenyl)-3,5-dimethyl-2,4,6,3,5-benzotrioxadisilonine-1,7-dione is C=C[Si]1(C)OC(=O)c2ccccc2C(=O)O[Si](C)(C=C)O1.
What is the InChIKey of 3,5-bis(ethenyl)-3,5-dimethyl-2,4,6,3,5-benzotrioxadisilonine-1,7-dione?
The InChIKey is QUVVKUZHTWLHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5Si2/c1-5-20(3)17-13(15)11-9-7-8-10-12(11)14(16)18-21(4,6-2)19-20/h5-10H,1-2H2,3-4H3.
What are the key properties of 3,5-bis(ethenyl)-3,5-dimethyl-2,4,6,3,5-benzotrioxadisilonine-1,7-dione?
3,5-bis(ethenyl)-3,5-dimethyl-2,4,6,3,5-benzotrioxadisilonine-1,7-dione has a molecular weight of 320.45 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(ethenyl)-3,5-dimethyl-2,4,6,3,5-benzotrioxadisilonine-1,7-dione is sourced from PubChem (CID 14949094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).