CID 66834660

C₃₁H₃₉INO₅Si — CID 66834660

About CID 66834660

CID 66834660 (PubChem CID 66834660) has the molecular formula C₃₁H₃₉INO₅Si and a molecular weight of 660.65 g/mol.

Molecular Properties

• Compound Name: CID 66834660
• PubChem CID: 66834660
• Molecular Formula: C₃₁H₃₉INO₅Si
• Molecular Weight: 660.65 g/mol
• Exact Mass: 660.16
• IUPAC Name: —
• SMILES: C[Si](C)OC([C@@H]1OC(C)(C)O[C@@H]1COc1ccc2c(c1)C(C)(C)c1[nH]c3cc(I)ccc3c1C2=O)C(C)(C)C
• InChI: InChI=1S/C31H39INO5Si/c1-29(2,3)28(38-39(8)9)26-23(36-31(6,7)37-26)16-35-18-11-13-19-21(15-18)30(4,5)27-24(25(19)34)20-12-10-17(32)14-22(20)33-27/h10-15,23,26,28,33H,16H2,1-9H3/t23-,26-,28?/m1/s1
• InChIKey: MECKHKKNMCDLIE-ONCFSFCTSA-N
• XLogP: 7.22
• TPSA: 69.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.65
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 66834660?

The IUPAC name of CID 66834660 (CID 66834660) is not available.

What is the SMILES notation for CID 66834660?

The canonical SMILES for CID 66834660 is C[Si](C)OC([C@@H]1OC(C)(C)O[C@@H]1COc1ccc2c(c1)C(C)(C)c1[nH]c3cc(I)ccc3c1C2=O)C(C)(C)C.

What is the InChIKey of CID 66834660?

The InChIKey is MECKHKKNMCDLIE-ONCFSFCTSA-N. The full InChI is InChI=1S/C31H39INO5Si/c1-29(2,3)28(38-39(8)9)26-23(36-31(6,7)37-26)16-35-18-11-13-19-21(15-18)30(4,5)27-24(25(19)34)20-12-10-17(32)14-22(20)33-27/h10-15,23,26,28,33H,16H2,1-9H3/t23-,26-,28?/m1/s1.

What are the key properties of CID 66834660?

CID 66834660 has a molecular weight of 660.65 g/mol, XLogP of 7.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for CID 66834660 is sourced from PubChem (CID 66834660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66834660 — identifiers, structure, computed properties (public domain)

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