CID 175042659

C17H38Cl2NSiTi — CID 175042659

IUPAC—
SMILESCC(C)(C)[NH-].CC1=[C-]C(C)C(C)=C1C.C[SiH]C.Cl.Cl.[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C9H13.C4H10N.C2H7Si.2CH3.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;1-4(2,3)5;1-3-2;;;;;/h6H,1-4H3;5H,1-3H3;3H,1-2H3;2*1H3;2*1H;/q2*-1;;2*-1;;;+4
InChIKeyBZZZIXYJUYZCLK-UHFFFAOYSA-N
MW403.36 g/mol
LogP6.82
Rot. Bonds

About CID 175042659

CID 175042659 (PubChem CID 175042659) has the molecular formula C17H38Cl2NSiTi and a molecular weight of 403.36 g/mol.

Molecular Properties

Compound NameCID 175042659
PubChem CID175042659
Molecular FormulaC17H38Cl2NSiTi
Molecular Weight403.36 g/mol
Exact Mass402.16
IUPAC Name—
SMILESCC(C)(C)[NH-].CC1=[C-]C(C)C(C)=C1C.C[SiH]C.Cl.Cl.[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C9H13.C4H10N.C2H7Si.2CH3.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;1-4(2,3)5;1-3-2;;;;;/h6H,1-4H3;5H,1-3H3;3H,1-2H3;2*1H3;2*1H;/q2*-1;;2*-1;;;+4
InChIKeyBZZZIXYJUYZCLK-UHFFFAOYSA-N
XLogP6.82
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.36
LogP ≤ 56.82
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 175042659?
The IUPAC name of CID 175042659 (CID 175042659) is not available.
What is the SMILES notation for CID 175042659?
The canonical SMILES for CID 175042659 is CC(C)(C)[NH-].CC1=[C-]C(C)C(C)=C1C.C[SiH]C.Cl.Cl.[CH3-].[CH3-].[Ti+4].
What is the InChIKey of CID 175042659?
The InChIKey is BZZZIXYJUYZCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.C4H10N.C2H7Si.2CH3.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;1-4(2,3)5;1-3-2;;;;;/h6H,1-4H3;5H,1-3H3;3H,1-2H3;2*1H3;2*1H;/q2*-1;;2*-1;;;+4.
What are the key properties of CID 175042659?
CID 175042659 has a molecular weight of 403.36 g/mol, XLogP of 6.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175042659 is sourced from PubChem (CID 175042659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).