CID 173188215

C21H33Cl2NOSiTi-2 — CID 173188215

IUPAC—
SMILESCCCCCCCCCC([NH-])=O.C[Si]C.Cl[Ti]Cl.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C10H21NO.C9H7.C2H6Si.2ClH.Ti/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;/h2-9H2,1H3,(H2,11,12);1-7H;1-2H3;2*1H;/q;-1;;;;+2/p-3
InChIKeyYTJGGSJVAKGPEL-UHFFFAOYSA-K
MW462.36 g/mol
LogP8.43
Rot. Bonds8

About CID 173188215

CID 173188215 (PubChem CID 173188215) has the molecular formula C21H33Cl2NOSiTi-2 and a molecular weight of 462.36 g/mol.

Molecular Properties

Compound NameCID 173188215
PubChem CID173188215
Molecular FormulaC21H33Cl2NOSiTi-2
Molecular Weight462.36 g/mol
Exact Mass461.12
IUPAC Name—
SMILESCCCCCCCCCC([NH-])=O.C[Si]C.Cl[Ti]Cl.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C10H21NO.C9H7.C2H6Si.2ClH.Ti/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;/h2-9H2,1H3,(H2,11,12);1-7H;1-2H3;2*1H;/q;-1;;;;+2/p-3
InChIKeyYTJGGSJVAKGPEL-UHFFFAOYSA-K
XLogP8.43
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.36
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 173188215?
The IUPAC name of CID 173188215 (CID 173188215) is not available.
What is the SMILES notation for CID 173188215?
The canonical SMILES for CID 173188215 is CCCCCCCCCC([NH-])=O.C[Si]C.Cl[Ti]Cl.c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 173188215?
The InChIKey is YTJGGSJVAKGPEL-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H21NO.C9H7.C2H6Si.2ClH.Ti/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;/h2-9H2,1H3,(H2,11,12);1-7H;1-2H3;2*1H;/q;-1;;;;+2/p-3.
What are the key properties of CID 173188215?
CID 173188215 has a molecular weight of 462.36 g/mol, XLogP of 8.43, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173188215 is sourced from PubChem (CID 173188215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).