CID 173002705

C15H32Cl2NSiTi — CID 173002705

IUPAC—
SMILESCC1=[C-]C(C)C(C)=C1C.CCC(C)[NH-].C[SiH]C.Cl.Cl.[Ti+2]
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;;;;+2
InChIKeyQFGCVIMJDJLJFD-UHFFFAOYSA-N
MW373.29 g/mol
LogP5.92
Rot. Bonds1

About CID 173002705

CID 173002705 (PubChem CID 173002705) has the molecular formula C15H32Cl2NSiTi and a molecular weight of 373.29 g/mol.

Molecular Properties

Compound NameCID 173002705
PubChem CID173002705
Molecular FormulaC15H32Cl2NSiTi
Molecular Weight373.29 g/mol
Exact Mass372.12
IUPAC Name—
SMILESCC1=[C-]C(C)C(C)=C1C.CCC(C)[NH-].C[SiH]C.Cl.Cl.[Ti+2]
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;;;;+2
InChIKeyQFGCVIMJDJLJFD-UHFFFAOYSA-N
XLogP5.92
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.29
LogP ≤ 55.92
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 173002705?
The IUPAC name of CID 173002705 (CID 173002705) is not available.
What is the SMILES notation for CID 173002705?
The canonical SMILES for CID 173002705 is CC1=[C-]C(C)C(C)=C1C.CCC(C)[NH-].C[SiH]C.Cl.Cl.[Ti+2].
What is the InChIKey of CID 173002705?
The InChIKey is QFGCVIMJDJLJFD-UHFFFAOYSA-N. 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;;;;+2.
What are the key properties of CID 173002705?
CID 173002705 has a molecular weight of 373.29 g/mol, XLogP of 5.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173002705 is sourced from PubChem (CID 173002705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).