CID 67789182

C24H32NO7Si — CID 67789182

IUPAC—
SMILESCOc1ccc2c(c1)CC[C@H]([C@@H]1[C@@H]([C@@](C)(O[Si](C)C)C(C)(C)C)C(=O)N1C(=O)C(=O)O)C2=O
InChIInChI=1S/C24H32NO7Si/c1-23(2,3)24(4,32-33(6)7)17-18(25(20(17)27)21(28)22(29)30)16-10-8-13-12-14(31-5)9-11-15(13)19(16)26/h9,11-12,16-18H,8,10H2,1-7H3,(H,29,30)/t16-,17-,18-,24-/m1/s1
InChIKeyMBMHFTYJLFRKKE-FGDDKPPBSA-N
MW474.61 g/mol
LogP2.95
Rot. Bonds5

About CID 67789182

CID 67789182 (PubChem CID 67789182) has the molecular formula C24H32NO7Si and a molecular weight of 474.61 g/mol.

Molecular Properties

Compound NameCID 67789182
PubChem CID67789182
Molecular FormulaC24H32NO7Si
Molecular Weight474.61 g/mol
Exact Mass474.19
IUPAC Name—
SMILESCOc1ccc2c(c1)CC[C@H]([C@@H]1[C@@H]([C@@](C)(O[Si](C)C)C(C)(C)C)C(=O)N1C(=O)C(=O)O)C2=O
InChIInChI=1S/C24H32NO7Si/c1-23(2,3)24(4,32-33(6)7)17-18(25(20(17)27)21(28)22(29)30)16-10-8-13-12-14(31-5)9-11-15(13)19(16)26/h9,11-12,16-18H,8,10H2,1-7H3,(H,29,30)/t16-,17-,18-,24-/m1/s1
InChIKeyMBMHFTYJLFRKKE-FGDDKPPBSA-N
XLogP2.95
TPSA110.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 67789182?
The IUPAC name of CID 67789182 (CID 67789182) is not available.
What is the SMILES notation for CID 67789182?
The canonical SMILES for CID 67789182 is COc1ccc2c(c1)CC[C@H]([C@@H]1[C@@H]([C@@](C)(O[Si](C)C)C(C)(C)C)C(=O)N1C(=O)C(=O)O)C2=O.
What is the InChIKey of CID 67789182?
The InChIKey is MBMHFTYJLFRKKE-FGDDKPPBSA-N. The full InChI is InChI=1S/C24H32NO7Si/c1-23(2,3)24(4,32-33(6)7)17-18(25(20(17)27)21(28)22(29)30)16-10-8-13-12-14(31-5)9-11-15(13)19(16)26/h9,11-12,16-18H,8,10H2,1-7H3,(H,29,30)/t16-,17-,18-,24-/m1/s1.
What are the key properties of CID 67789182?
CID 67789182 has a molecular weight of 474.61 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67789182 is sourced from PubChem (CID 67789182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).