4,14-Dioxo-7,9,11-triphenyl-3,8,10,15-tetraoxa-9-silaheptadecan-9-yl

C30H35O6Si — CID 6367163

IUPAC—
SMILESCCOC(=O)CCC(O[Si](OC(CCC(=O)OCC)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H35O6Si/c1-3-33-29(31)22-20-27(24-14-8-5-9-15-24)35-37(26-18-12-7-13-19-26)36-28(21-23-30(32)34-4-2)25-16-10-6-11-17-25/h5-19,27-28H,3-4,20-23H2,1-2H3
InChIKeyWHCKFWSNRDLZIY-UHFFFAOYSA-N
MW519.69 g/mol
LogP5.58
Rot. Bonds15

About 4,14-Dioxo-7,9,11-triphenyl-3,8,10,15-tetraoxa-9-silaheptadecan-9-yl

4,14-Dioxo-7,9,11-triphenyl-3,8,10,15-tetraoxa-9-silaheptadecan-9-yl (PubChem CID 6367163) has the molecular formula C30H35O6Si and a molecular weight of 519.69 g/mol.

Molecular Properties

Compound Name4,14-Dioxo-7,9,11-triphenyl-3,8,10,15-tetraoxa-9-silaheptadecan-9-yl
PubChem CID6367163
Molecular FormulaC30H35O6Si
Molecular Weight519.69 g/mol
Exact Mass519.22
IUPAC Name—
SMILESCCOC(=O)CCC(O[Si](OC(CCC(=O)OCC)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H35O6Si/c1-3-33-29(31)22-20-27(24-14-8-5-9-15-24)35-37(26-18-12-7-13-19-26)36-28(21-23-30(32)34-4-2)25-16-10-6-11-17-25/h5-19,27-28H,3-4,20-23H2,1-2H3
InChIKeyWHCKFWSNRDLZIY-UHFFFAOYSA-N
XLogP5.58
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.69
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 4,14-Dioxo-7,9,11-triphenyl-3,8,10,15-tetraoxa-9-silaheptadecan-9-yl?
The IUPAC name of 4,14-Dioxo-7,9,11-triphenyl-3,8,10,15-tetraoxa-9-silaheptadecan-9-yl (CID 6367163) is not available.
What is the SMILES notation for 4,14-Dioxo-7,9,11-triphenyl-3,8,10,15-tetraoxa-9-silaheptadecan-9-yl?
The canonical SMILES for 4,14-Dioxo-7,9,11-triphenyl-3,8,10,15-tetraoxa-9-silaheptadecan-9-yl is CCOC(=O)CCC(O[Si](OC(CCC(=O)OCC)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 4,14-Dioxo-7,9,11-triphenyl-3,8,10,15-tetraoxa-9-silaheptadecan-9-yl?
The InChIKey is WHCKFWSNRDLZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35O6Si/c1-3-33-29(31)22-20-27(24-14-8-5-9-15-24)35-37(26-18-12-7-13-19-26)36-28(21-23-30(32)34-4-2)25-16-10-6-11-17-25/h5-19,27-28H,3-4,20-23H2,1-2H3.
What are the key properties of 4,14-Dioxo-7,9,11-triphenyl-3,8,10,15-tetraoxa-9-silaheptadecan-9-yl?
4,14-Dioxo-7,9,11-triphenyl-3,8,10,15-tetraoxa-9-silaheptadecan-9-yl has a molecular weight of 519.69 g/mol, XLogP of 5.58, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,14-Dioxo-7,9,11-triphenyl-3,8,10,15-tetraoxa-9-silaheptadecan-9-yl is sourced from PubChem (CID 6367163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).