dimethyl 1'-[dimethyl(phenyl)silyl]oxyspiro[1,3-dithiolane-2,4'-1H-naphthalene]-2',3'-dicarboxylate

C24H26O5S2Si — CID 25243224

IUPACdimethyl 1'-[dimethyl(phenyl)silyl]oxyspiro[1,3-dithiolane-2,4'-1H-naphthalene]-2',3'-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(SCCS2)c2ccccc2C1O[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H26O5S2Si/c1-27-22(25)19-20(23(26)28-2)24(30-14-15-31-24)18-13-9-8-12-17(18)21(19)29-32(3,4)16-10-6-5-7-11-16/h5-13,21H,14-15H2,1-4H3
InChIKeyPRPPCDNPFNJLQP-UHFFFAOYSA-N
MW486.69 g/mol
LogP4.15
Rot. Bonds5

About dimethyl 1'-[dimethyl(phenyl)silyl]oxyspiro[1,3-dithiolane-2,4'-1H-naphthalene]-2',3'-dicarboxylate

dimethyl 1'-[dimethyl(phenyl)silyl]oxyspiro[1,3-dithiolane-2,4'-1H-naphthalene]-2',3'-dicarboxylate (PubChem CID 25243224) has the molecular formula C24H26O5S2Si and a molecular weight of 486.69 g/mol. Its IUPAC name is dimethyl 1'-[dimethyl(phenyl)silyl]oxyspiro[1,3-dithiolane-2,4'-1H-naphthalene]-2',3'-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1'-[dimethyl(phenyl)silyl]oxyspiro[1,3-dithiolane-2,4'-1H-naphthalene]-2',3'-dicarboxylate
PubChem CID25243224
Molecular FormulaC24H26O5S2Si
Molecular Weight486.69 g/mol
Exact Mass486.10
IUPAC Namedimethyl 1'-[dimethyl(phenyl)silyl]oxyspiro[1,3-dithiolane-2,4'-1H-naphthalene]-2',3'-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(SCCS2)c2ccccc2C1O[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H26O5S2Si/c1-27-22(25)19-20(23(26)28-2)24(30-14-15-31-24)18-13-9-8-12-17(18)21(19)29-32(3,4)16-10-6-5-7-11-16/h5-13,21H,14-15H2,1-4H3
InChIKeyPRPPCDNPFNJLQP-UHFFFAOYSA-N
XLogP4.15
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.69
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 dimethyl 1'-[dimethyl(phenyl)silyl]oxyspiro[1,3-dithiolane-2,4'-1H-naphthalene]-2',3'-dicarboxylate?
The IUPAC name of dimethyl 1'-[dimethyl(phenyl)silyl]oxyspiro[1,3-dithiolane-2,4'-1H-naphthalene]-2',3'-dicarboxylate (CID 25243224) is dimethyl 1'-[dimethyl(phenyl)silyl]oxyspiro[1,3-dithiolane-2,4'-1H-naphthalene]-2',3'-dicarboxylate.
What is the SMILES notation for dimethyl 1'-[dimethyl(phenyl)silyl]oxyspiro[1,3-dithiolane-2,4'-1H-naphthalene]-2',3'-dicarboxylate?
The canonical SMILES for dimethyl 1'-[dimethyl(phenyl)silyl]oxyspiro[1,3-dithiolane-2,4'-1H-naphthalene]-2',3'-dicarboxylate is COC(=O)C1=C(C(=O)OC)C2(SCCS2)c2ccccc2C1O[Si](C)(C)c1ccccc1.
What is the InChIKey of dimethyl 1'-[dimethyl(phenyl)silyl]oxyspiro[1,3-dithiolane-2,4'-1H-naphthalene]-2',3'-dicarboxylate?
The InChIKey is PRPPCDNPFNJLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O5S2Si/c1-27-22(25)19-20(23(26)28-2)24(30-14-15-31-24)18-13-9-8-12-17(18)21(19)29-32(3,4)16-10-6-5-7-11-16/h5-13,21H,14-15H2,1-4H3.
What are the key properties of dimethyl 1'-[dimethyl(phenyl)silyl]oxyspiro[1,3-dithiolane-2,4'-1H-naphthalene]-2',3'-dicarboxylate?
dimethyl 1'-[dimethyl(phenyl)silyl]oxyspiro[1,3-dithiolane-2,4'-1H-naphthalene]-2',3'-dicarboxylate has a molecular weight of 486.69 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1'-[dimethyl(phenyl)silyl]oxyspiro[1,3-dithiolane-2,4'-1H-naphthalene]-2',3'-dicarboxylate is sourced from PubChem (CID 25243224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).