CID 173212871

C18H33Cl2NOSi2Ti-4 — CID 173212871

IUPAC—
SMILESCC(C)(C)[NH-].C[Si]C.Cl.Cl.[CH2-]CO.[CH3-].[Si]=[Ti].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C4H10N.C2H5O.C2H6Si.CH3.2ClH.Si.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-4(2,3)5;1-2-3;1-3-2;;;;;/h1-7H;5H,1-3H3;3H,1-2H2;1-2H3;1H3;2*1H;;/q3*-1;;-1;;;;
InChIKeyAIVGBSYZILAKEK-UHFFFAOYSA-N
MW454.41 g/mol
LogP5.91
Rot. Bonds

About CID 173212871

CID 173212871 (PubChem CID 173212871) has the molecular formula C18H33Cl2NOSi2Ti-4 and a molecular weight of 454.41 g/mol.

Molecular Properties

Compound NameCID 173212871
PubChem CID173212871
Molecular FormulaC18H33Cl2NOSi2Ti-4
Molecular Weight454.41 g/mol
Exact Mass453.10
IUPAC Name—
SMILESCC(C)(C)[NH-].C[Si]C.Cl.Cl.[CH2-]CO.[CH3-].[Si]=[Ti].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C4H10N.C2H5O.C2H6Si.CH3.2ClH.Si.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-4(2,3)5;1-2-3;1-3-2;;;;;/h1-7H;5H,1-3H3;3H,1-2H2;1-2H3;1H3;2*1H;;/q3*-1;;-1;;;;
InChIKeyAIVGBSYZILAKEK-UHFFFAOYSA-N
XLogP5.91
TPSA44.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.41
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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carbanide;dimethylsilylidenetitanium;bis(1H-inden-1-ide)
CID 173073512

Frequently Asked Questions

What is the IUPAC name of CID 173212871?
The IUPAC name of CID 173212871 (CID 173212871) is not available.
What is the SMILES notation for CID 173212871?
The canonical SMILES for CID 173212871 is CC(C)(C)[NH-].C[Si]C.Cl.Cl.[CH2-]CO.[CH3-].[Si]=[Ti].c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 173212871?
The InChIKey is AIVGBSYZILAKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7.C4H10N.C2H5O.C2H6Si.CH3.2ClH.Si.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-4(2,3)5;1-2-3;1-3-2;;;;;/h1-7H;5H,1-3H3;3H,1-2H2;1-2H3;1H3;2*1H;;/q3*-1;;-1;;;;.
What are the key properties of CID 173212871?
CID 173212871 has a molecular weight of 454.41 g/mol, XLogP of 5.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173212871 is sourced from PubChem (CID 173212871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).