CID 173149692

C19H38NSiTi — CID 173149692

IUPAC—
SMILESCC1=[C-]C(C)C(C)=C1C.CCCCCCCC[NH-].C[SiH]C.[Ti+2]
InChIInChI=1S/C9H13.C8H18N.C2H7Si.Ti/c1-6-5-7(2)9(4)8(6)3;1-2-3-4-5-6-7-8-9;1-3-2;/h6H,1-4H3;9H,2-8H2,1H3;3H,1-2H3;/q2*-1;;+2
InChIKeyLLZXYRGLLZFZEV-UHFFFAOYSA-N
MW356.47 g/mol
LogP6.64
Rot. Bonds6

About CID 173149692

CID 173149692 (PubChem CID 173149692) has the molecular formula C19H38NSiTi and a molecular weight of 356.47 g/mol.

Molecular Properties

Compound NameCID 173149692
PubChem CID173149692
Molecular FormulaC19H38NSiTi
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name—
SMILESCC1=[C-]C(C)C(C)=C1C.CCCCCCCC[NH-].C[SiH]C.[Ti+2]
InChIInChI=1S/C9H13.C8H18N.C2H7Si.Ti/c1-6-5-7(2)9(4)8(6)3;1-2-3-4-5-6-7-8-9;1-3-2;/h6H,1-4H3;9H,2-8H2,1H3;3H,1-2H3;/q2*-1;;+2
InChIKeyLLZXYRGLLZFZEV-UHFFFAOYSA-N
XLogP6.64
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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cobalt(3+);tris(1,2,3,5-tetramethylcyclopenta-1,3-diene)
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1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium;dihydrofluoride
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CID 173020378
carbanide;2-methylpropane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+)
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beryllium hexylazanide
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Frequently Asked Questions

What is the IUPAC name of CID 173149692?
The IUPAC name of CID 173149692 (CID 173149692) is not available.
What is the SMILES notation for CID 173149692?
The canonical SMILES for CID 173149692 is CC1=[C-]C(C)C(C)=C1C.CCCCCCCC[NH-].C[SiH]C.[Ti+2].
What is the InChIKey of CID 173149692?
The InChIKey is LLZXYRGLLZFZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.C8H18N.C2H7Si.Ti/c1-6-5-7(2)9(4)8(6)3;1-2-3-4-5-6-7-8-9;1-3-2;/h6H,1-4H3;9H,2-8H2,1H3;3H,1-2H3;/q2*-1;;+2.
What are the key properties of CID 173149692?
CID 173149692 has a molecular weight of 356.47 g/mol, XLogP of 6.64, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173149692 is sourced from PubChem (CID 173149692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).