CID 67788703

C25H32NO8Si — CID 67788703

IUPAC—
SMILESCOC(=O)c1ccc2c(c1)C(=O)[C@@H]([C@@H]1[C@H]([C@@H](CO[Si](C)C)C(C)(C)C)C(=O)N1C(=O)C(=O)O)CC2
InChIInChI=1S/C25H32NO8Si/c1-25(2,3)17(12-34-35(5)6)18-19(26(21(18)28)22(29)23(30)31)15-10-9-13-7-8-14(24(32)33-4)11-16(13)20(15)27/h7-8,11,15,17-19H,9-10,12H2,1-6H3,(H,30,31)/t15-,17-,18+,19-/m1/s1
InChIKeyONECELSYFXVKRH-OQIJWPOYSA-N
MW502.62 g/mol
LogP2.59
Rot. Bonds6

About CID 67788703

CID 67788703 (PubChem CID 67788703) has the molecular formula C25H32NO8Si and a molecular weight of 502.62 g/mol.

Molecular Properties

Compound NameCID 67788703
PubChem CID67788703
Molecular FormulaC25H32NO8Si
Molecular Weight502.62 g/mol
Exact Mass502.19
IUPAC Name—
SMILESCOC(=O)c1ccc2c(c1)C(=O)[C@@H]([C@@H]1[C@H]([C@@H](CO[Si](C)C)C(C)(C)C)C(=O)N1C(=O)C(=O)O)CC2
InChIInChI=1S/C25H32NO8Si/c1-25(2,3)17(12-34-35(5)6)18-19(26(21(18)28)22(29)23(30)31)15-10-9-13-7-8-14(24(32)33-4)11-16(13)20(15)27/h7-8,11,15,17-19H,9-10,12H2,1-6H3,(H,30,31)/t15-,17-,18+,19-/m1/s1
InChIKeyONECELSYFXVKRH-OQIJWPOYSA-N
XLogP2.59
TPSA127.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.62
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 67788703?
The IUPAC name of CID 67788703 (CID 67788703) is not available.
What is the SMILES notation for CID 67788703?
The canonical SMILES for CID 67788703 is COC(=O)c1ccc2c(c1)C(=O)[C@@H]([C@@H]1[C@H]([C@@H](CO[Si](C)C)C(C)(C)C)C(=O)N1C(=O)C(=O)O)CC2.
What is the InChIKey of CID 67788703?
The InChIKey is ONECELSYFXVKRH-OQIJWPOYSA-N. The full InChI is InChI=1S/C25H32NO8Si/c1-25(2,3)17(12-34-35(5)6)18-19(26(21(18)28)22(29)23(30)31)15-10-9-13-7-8-14(24(32)33-4)11-16(13)20(15)27/h7-8,11,15,17-19H,9-10,12H2,1-6H3,(H,30,31)/t15-,17-,18+,19-/m1/s1.
What are the key properties of CID 67788703?
CID 67788703 has a molecular weight of 502.62 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67788703 is sourced from PubChem (CID 67788703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).