CID 87140092

C19H24Cl2NSiTi — CID 87140092

IUPAC—
SMILESC[Si](C)[N-]C(C)(C)C.[Cl-].[Cl-].[Ti+4].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C6H15NSi.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6(2,3)7-8(4)5;;;/h1-9H;1-5H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyWTZNEPKAWUSGPJ-UHFFFAOYSA-L
MW413.27 g/mol
LogP0.13
Rot. Bonds1

About CID 87140092

CID 87140092 (PubChem CID 87140092) has the molecular formula C19H24Cl2NSiTi and a molecular weight of 413.27 g/mol.

Molecular Properties

Compound NameCID 87140092
PubChem CID87140092
Molecular FormulaC19H24Cl2NSiTi
Molecular Weight413.27 g/mol
Exact Mass412.05
IUPAC Name—
SMILESC[Si](C)[N-]C(C)(C)C.[Cl-].[Cl-].[Ti+4].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C6H15NSi.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6(2,3)7-8(4)5;;;/h1-9H;1-5H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyWTZNEPKAWUSGPJ-UHFFFAOYSA-L
XLogP0.13
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 87140092?
The IUPAC name of CID 87140092 (CID 87140092) is not available.
What is the SMILES notation for CID 87140092?
The canonical SMILES for CID 87140092 is C[Si](C)[N-]C(C)(C)C.[Cl-].[Cl-].[Ti+4].c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of CID 87140092?
The InChIKey is WTZNEPKAWUSGPJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C6H15NSi.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6(2,3)7-8(4)5;;;/h1-9H;1-5H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of CID 87140092?
CID 87140092 has a molecular weight of 413.27 g/mol, XLogP of 0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87140092 is sourced from PubChem (CID 87140092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).