CID 87935924

C23H32Cl2NO2Si2Ti — CID 87935924

IUPAC—
SMILESCCO[Si]1(C)c2c(NC(C)(C)C)c(O[Si](C)(C)C)c3c([cH-]c4ccccc43)c21.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C23H32NO2Si2.2ClH.Ti/c1-9-25-28(8)21-17-14-15-12-10-11-13-16(15)18(17)20(26-27(5,6)7)19(22(21)28)24-23(2,3)4;;;/h10-14,24H,9H2,1-8H3;2*1H;/q-1;;;+3/p-2
InChIKeyAOSGFBDLVNTVOK-UHFFFAOYSA-L
MW529.46 g/mol
LogP-0.82
Rot. Bonds5

About CID 87935924

CID 87935924 (PubChem CID 87935924) has the molecular formula C23H32Cl2NO2Si2Ti and a molecular weight of 529.46 g/mol.

Molecular Properties

Compound NameCID 87935924
PubChem CID87935924
Molecular FormulaC23H32Cl2NO2Si2Ti
Molecular Weight529.46 g/mol
Exact Mass528.08
IUPAC Name—
SMILESCCO[Si]1(C)c2c(NC(C)(C)C)c(O[Si](C)(C)C)c3c([cH-]c4ccccc43)c21.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C23H32NO2Si2.2ClH.Ti/c1-9-25-28(8)21-17-14-15-12-10-11-13-16(15)18(17)20(26-27(5,6)7)19(22(21)28)24-23(2,3)4;;;/h10-14,24H,9H2,1-8H3;2*1H;/q-1;;;+3/p-2
InChIKeyAOSGFBDLVNTVOK-UHFFFAOYSA-L
XLogP-0.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.46
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87935924?
The IUPAC name of CID 87935924 (CID 87935924) is not available.
What is the SMILES notation for CID 87935924?
The canonical SMILES for CID 87935924 is CCO[Si]1(C)c2c(NC(C)(C)C)c(O[Si](C)(C)C)c3c([cH-]c4ccccc43)c21.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of CID 87935924?
The InChIKey is AOSGFBDLVNTVOK-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H32NO2Si2.2ClH.Ti/c1-9-25-28(8)21-17-14-15-12-10-11-13-16(15)18(17)20(26-27(5,6)7)19(22(21)28)24-23(2,3)4;;;/h10-14,24H,9H2,1-8H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of CID 87935924?
CID 87935924 has a molecular weight of 529.46 g/mol, XLogP of -0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87935924 is sourced from PubChem (CID 87935924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).