CID 173002706

C15H30Cl2NSiTi — CID 173002706

IUPAC—
SMILESCC1=[C-]C(C)C(C)=C1C.CCC(C)[NH-].C[SiH]C.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C9H13.C4H10N.C2H7Si.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;1-3-4(2)5;1-3-2;;;/h6H,1-4H3;4-5H,3H2,1-2H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyZQFAMHQCFPMVGA-UHFFFAOYSA-L
MW371.27 g/mol
LogP-0.92
Rot. Bonds1

About CID 173002706

CID 173002706 (PubChem CID 173002706) has the molecular formula C15H30Cl2NSiTi and a molecular weight of 371.27 g/mol.

Molecular Properties

Compound NameCID 173002706
PubChem CID173002706
Molecular FormulaC15H30Cl2NSiTi
Molecular Weight371.27 g/mol
Exact Mass370.10
IUPAC Name—
SMILESCC1=[C-]C(C)C(C)=C1C.CCC(C)[NH-].C[SiH]C.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C9H13.C4H10N.C2H7Si.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;1-3-4(2)5;1-3-2;;;/h6H,1-4H3;4-5H,3H2,1-2H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyZQFAMHQCFPMVGA-UHFFFAOYSA-L
XLogP-0.92
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.27
LogP ≤ 5-0.92
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'}

Analyze CID 173002706 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 173002706?
The IUPAC name of CID 173002706 (CID 173002706) is not available.
What is the SMILES notation for CID 173002706?
The canonical SMILES for CID 173002706 is CC1=[C-]C(C)C(C)=C1C.CCC(C)[NH-].C[SiH]C.[Cl-].[Cl-].[Ti+4].
What is the InChIKey of CID 173002706?
The InChIKey is ZQFAMHQCFPMVGA-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H13.C4H10N.C2H7Si.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;1-3-4(2)5;1-3-2;;;/h6H,1-4H3;4-5H,3H2,1-2H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173002706?
CID 173002706 has a molecular weight of 371.27 g/mol, XLogP of -0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173002706 is sourced from PubChem (CID 173002706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).