dimethyl 10,10-dimethyl-16-oxo-2,14-diphenyl-10-silahexacyclo[9.5.0.02,14.03,13.04,9.012,15]hexadeca-4,6,8-triene-1,15-dicarboxylate

C33H30O5Si — CID 10052848

IUPACdimethyl 10,10-dimethyl-16-oxo-2,14-diphenyl-10-silahexacyclo[9.5.0.02,14.03,13.04,9.012,15]hexadeca-4,6,8-triene-1,15-dicarboxylate
SMILESCOC(=O)C12C(=O)C3(C(=O)OC)C4C5C(c6ccccc6[Si](C)(C)C41)C2(c1ccccc1)C53c1ccccc1
InChIInChI=1S/C33H30O5Si/c1-37-28(35)30-25-24-23-21-17-11-12-18-22(21)39(3,4)26(25)31(27(30)34,29(36)38-2)32(23,19-13-7-5-8-14-19)33(24,30)20-15-9-6-10-16-20/h5-18,23-26H,1-4H3
InChIKeyUYLNWKZKNUGTNT-UHFFFAOYSA-N
MW534.68 g/mol
LogP4.12
Rot. Bonds4

About dimethyl 10,10-dimethyl-16-oxo-2,14-diphenyl-10-silahexacyclo[9.5.0.02,14.03,13.04,9.012,15]hexadeca-4,6,8-triene-1,15-dicarboxylate

dimethyl 10,10-dimethyl-16-oxo-2,14-diphenyl-10-silahexacyclo[9.5.0.02,14.03,13.04,9.012,15]hexadeca-4,6,8-triene-1,15-dicarboxylate (PubChem CID 10052848) has the molecular formula C33H30O5Si and a molecular weight of 534.68 g/mol. Its IUPAC name is dimethyl 10,10-dimethyl-16-oxo-2,14-diphenyl-10-silahexacyclo[9.5.0.02,14.03,13.04,9.012,15]hexadeca-4,6,8-triene-1,15-dicarboxylate.

Molecular Properties

Compound Namedimethyl 10,10-dimethyl-16-oxo-2,14-diphenyl-10-silahexacyclo[9.5.0.02,14.03,13.04,9.012,15]hexadeca-4,6,8-triene-1,15-dicarboxylate
PubChem CID10052848
Molecular FormulaC33H30O5Si
Molecular Weight534.68 g/mol
Exact Mass534.19
IUPAC Namedimethyl 10,10-dimethyl-16-oxo-2,14-diphenyl-10-silahexacyclo[9.5.0.02,14.03,13.04,9.012,15]hexadeca-4,6,8-triene-1,15-dicarboxylate
SMILESCOC(=O)C12C(=O)C3(C(=O)OC)C4C5C(c6ccccc6[Si](C)(C)C41)C2(c1ccccc1)C53c1ccccc1
InChIInChI=1S/C33H30O5Si/c1-37-28(35)30-25-24-23-21-17-11-12-18-22(21)39(3,4)26(25)31(27(30)34,29(36)38-2)32(23,19-13-7-5-8-14-19)33(24,30)20-15-9-6-10-16-20/h5-18,23-26H,1-4H3
InChIKeyUYLNWKZKNUGTNT-UHFFFAOYSA-N
XLogP4.12
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.68
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze dimethyl 10,10-dimethyl-16-oxo-2,14-diphenyl-10-silahexacyclo[9.5.0.02,14.03,13.04,9.012,15]hexadeca-4,6,8-triene-1,15-dicarboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of dimethyl 10,10-dimethyl-16-oxo-2,14-diphenyl-10-silahexacyclo[9.5.0.02,14.03,13.04,9.012,15]hexadeca-4,6,8-triene-1,15-dicarboxylate?
The IUPAC name of dimethyl 10,10-dimethyl-16-oxo-2,14-diphenyl-10-silahexacyclo[9.5.0.02,14.03,13.04,9.012,15]hexadeca-4,6,8-triene-1,15-dicarboxylate (CID 10052848) is dimethyl 10,10-dimethyl-16-oxo-2,14-diphenyl-10-silahexacyclo[9.5.0.02,14.03,13.04,9.012,15]hexadeca-4,6,8-triene-1,15-dicarboxylate.
What is the SMILES notation for dimethyl 10,10-dimethyl-16-oxo-2,14-diphenyl-10-silahexacyclo[9.5.0.02,14.03,13.04,9.012,15]hexadeca-4,6,8-triene-1,15-dicarboxylate?
The canonical SMILES for dimethyl 10,10-dimethyl-16-oxo-2,14-diphenyl-10-silahexacyclo[9.5.0.02,14.03,13.04,9.012,15]hexadeca-4,6,8-triene-1,15-dicarboxylate is COC(=O)C12C(=O)C3(C(=O)OC)C4C5C(c6ccccc6[Si](C)(C)C41)C2(c1ccccc1)C53c1ccccc1.
What is the InChIKey of dimethyl 10,10-dimethyl-16-oxo-2,14-diphenyl-10-silahexacyclo[9.5.0.02,14.03,13.04,9.012,15]hexadeca-4,6,8-triene-1,15-dicarboxylate?
The InChIKey is UYLNWKZKNUGTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30O5Si/c1-37-28(35)30-25-24-23-21-17-11-12-18-22(21)39(3,4)26(25)31(27(30)34,29(36)38-2)32(23,19-13-7-5-8-14-19)33(24,30)20-15-9-6-10-16-20/h5-18,23-26H,1-4H3.
What are the key properties of dimethyl 10,10-dimethyl-16-oxo-2,14-diphenyl-10-silahexacyclo[9.5.0.02,14.03,13.04,9.012,15]hexadeca-4,6,8-triene-1,15-dicarboxylate?
dimethyl 10,10-dimethyl-16-oxo-2,14-diphenyl-10-silahexacyclo[9.5.0.02,14.03,13.04,9.012,15]hexadeca-4,6,8-triene-1,15-dicarboxylate has a molecular weight of 534.68 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 10,10-dimethyl-16-oxo-2,14-diphenyl-10-silahexacyclo[9.5.0.02,14.03,13.04,9.012,15]hexadeca-4,6,8-triene-1,15-dicarboxylate is sourced from PubChem (CID 10052848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).