CID 173188345

C11H24Cl2NSiTi — CID 173188345

IUPAC—
SMILESCCC(C)[NH-].C[SiH]C.Cl.Cl.[C-]1=CC=CC1.[Ti+2]
InChIInChI=1S/C5H5.C4H10N.C2H7Si.2ClH.Ti/c1-2-4-5-3-1;1-3-4(2)5;1-3-2;;;/h1-3H,4H2;4-5H,3H2,1-2H3;3H,1-2H3;2*1H;/q2*-1;;;;+2
InChIKeyIVJFDPKTRPHBOI-UHFFFAOYSA-N
MW317.18 g/mol
LogP4.50
Rot. Bonds1

About CID 173188345

CID 173188345 (PubChem CID 173188345) has the molecular formula C11H24Cl2NSiTi and a molecular weight of 317.18 g/mol.

Molecular Properties

Compound NameCID 173188345
PubChem CID173188345
Molecular FormulaC11H24Cl2NSiTi
Molecular Weight317.18 g/mol
Exact Mass316.05
IUPAC Name—
SMILESCCC(C)[NH-].C[SiH]C.Cl.Cl.[C-]1=CC=CC1.[Ti+2]
InChIInChI=1S/C5H5.C4H10N.C2H7Si.2ClH.Ti/c1-2-4-5-3-1;1-3-4(2)5;1-3-2;;;/h1-3H,4H2;4-5H,3H2,1-2H3;3H,1-2H3;2*1H;/q2*-1;;;;+2
InChIKeyIVJFDPKTRPHBOI-UHFFFAOYSA-N
XLogP4.50
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.50
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 173188345?
The IUPAC name of CID 173188345 (CID 173188345) is not available.
What is the SMILES notation for CID 173188345?
The canonical SMILES for CID 173188345 is CCC(C)[NH-].C[SiH]C.Cl.Cl.[C-]1=CC=CC1.[Ti+2].
What is the InChIKey of CID 173188345?
The InChIKey is IVJFDPKTRPHBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C4H10N.C2H7Si.2ClH.Ti/c1-2-4-5-3-1;1-3-4(2)5;1-3-2;;;/h1-3H,4H2;4-5H,3H2,1-2H3;3H,1-2H3;2*1H;/q2*-1;;;;+2.
What are the key properties of CID 173188345?
CID 173188345 has a molecular weight of 317.18 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173188345 is sourced from PubChem (CID 173188345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).