CID 67788698

C25H32NO8Si — CID 67788698

IUPAC—
SMILESCOC(=O)c1ccc2c(c1)C(=O)[C@@H]([C@@H]1[C@@H]([C@@](C)(O[Si](C)C)C(C)(C)C)C(=O)N1C(=O)C(=O)O)CC2
InChIInChI=1S/C25H32NO8Si/c1-24(2,3)25(4,34-35(6)7)17-18(26(20(17)28)21(29)22(30)31)15-11-10-13-8-9-14(23(32)33-5)12-16(13)19(15)27/h8-9,12,15,17-18H,10-11H2,1-7H3,(H,30,31)/t15-,17-,18-,25-/m1/s1
InChIKeyXQKHJOKBGCBURN-UCBOFMOASA-N
MW502.62 g/mol
LogP2.73
Rot. Bonds5

About CID 67788698

CID 67788698 (PubChem CID 67788698) has the molecular formula C25H32NO8Si and a molecular weight of 502.62 g/mol.

Molecular Properties

Compound NameCID 67788698
PubChem CID67788698
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@@](C)(O[Si](C)C)C(C)(C)C)C(=O)N1C(=O)C(=O)O)CC2
InChIInChI=1S/C25H32NO8Si/c1-24(2,3)25(4,34-35(6)7)17-18(26(20(17)28)21(29)22(30)31)15-11-10-13-8-9-14(23(32)33-5)12-16(13)19(15)27/h8-9,12,15,17-18H,10-11H2,1-7H3,(H,30,31)/t15-,17-,18-,25-/m1/s1
InChIKeyXQKHJOKBGCBURN-UCBOFMOASA-N
XLogP2.73
TPSA127.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.62
LogP ≤ 52.73
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 67788698?
The IUPAC name of CID 67788698 (CID 67788698) is not available.
What is the SMILES notation for CID 67788698?
The canonical SMILES for CID 67788698 is COC(=O)c1ccc2c(c1)C(=O)[C@@H]([C@@H]1[C@@H]([C@@](C)(O[Si](C)C)C(C)(C)C)C(=O)N1C(=O)C(=O)O)CC2.
What is the InChIKey of CID 67788698?
The InChIKey is XQKHJOKBGCBURN-UCBOFMOASA-N. The full InChI is InChI=1S/C25H32NO8Si/c1-24(2,3)25(4,34-35(6)7)17-18(26(20(17)28)21(29)22(30)31)15-11-10-13-8-9-14(23(32)33-5)12-16(13)19(15)27/h8-9,12,15,17-18H,10-11H2,1-7H3,(H,30,31)/t15-,17-,18-,25-/m1/s1.
What are the key properties of CID 67788698?
CID 67788698 has a molecular weight of 502.62 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67788698 is sourced from PubChem (CID 67788698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).