CID 66834618

C₃₂H₄₀NO₇Si — CID 66834618

About CID 66834618

CID 66834618 (PubChem CID 66834618) has the molecular formula C₃₂H₄₀NO₇Si and a molecular weight of 578.76 g/mol.

Molecular Properties

• Compound Name: CID 66834618
• PubChem CID: 66834618
• Molecular Formula: C₃₂H₄₀NO₇Si
• Molecular Weight: 578.76 g/mol
• Exact Mass: 578.26
• IUPAC Name: —
• SMILES: C[Si](C)OC(C1OC(C)(C)OC1COc1ccc2c(c1)C(C)(C)c1[nH]c3cc(C(=O)O)ccc3c1C2=O)C(C)(C)C
• InChI: InChI=1S/C32H40NO7Si/c1-30(2,3)28(40-41(8)9)26-23(38-32(6,7)39-26)16-37-18-11-13-19-21(15-18)31(4,5)27-24(25(19)34)20-12-10-17(29(35)36)14-22(20)33-27/h10-15,23,26,28,33H,16H2,1-9H3,(H,35,36)
• InChIKey: KPMJSONJSLPFNT-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 107.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.76
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 66834618?

The IUPAC name of CID 66834618 (CID 66834618) is not available.

What is the SMILES notation for CID 66834618?

The canonical SMILES for CID 66834618 is C[Si](C)OC(C1OC(C)(C)OC1COc1ccc2c(c1)C(C)(C)c1[nH]c3cc(C(=O)O)ccc3c1C2=O)C(C)(C)C.

What is the InChIKey of CID 66834618?

The InChIKey is KPMJSONJSLPFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40NO7Si/c1-30(2,3)28(40-41(8)9)26-23(38-32(6,7)39-26)16-37-18-11-13-19-21(15-18)31(4,5)27-24(25(19)34)20-12-10-17(29(35)36)14-22(20)33-27/h10-15,23,26,28,33H,16H2,1-9H3,(H,35,36).

What are the key properties of CID 66834618?

CID 66834618 has a molecular weight of 578.76 g/mol, XLogP of 6.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for CID 66834618 is sourced from PubChem (CID 66834618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66834618 — identifiers, structure, computed properties (public domain)

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