CID 18766778

C12H26N2SiTi — CID 18766778

IUPAC—
SMILESC[N-]C.C[N-]C.C[Si](C)C.[C-]1=CC=CC1.[Ti+3]
InChIInChI=1S/C5H5.C3H9Si.2C2H6N.Ti/c1-2-4-5-3-1;1-4(2)3;2*1-3-2;/h1-3H,4H2;1-3H3;2*1-2H3;/q-1;;2*-1;+3
InChIKeyFYNCUQQYJCBZSQ-UHFFFAOYSA-N
MW274.31 g/mol
LogP3.91
Rot. Bonds

About CID 18766778

CID 18766778 (PubChem CID 18766778) has the molecular formula C12H26N2SiTi and a molecular weight of 274.31 g/mol.

Molecular Properties

Compound NameCID 18766778
PubChem CID18766778
Molecular FormulaC12H26N2SiTi
Molecular Weight274.31 g/mol
Exact Mass274.13
IUPAC Name—
SMILESC[N-]C.C[N-]C.C[Si](C)C.[C-]1=CC=CC1.[Ti+3]
InChIInChI=1S/C5H5.C3H9Si.2C2H6N.Ti/c1-2-4-5-3-1;1-4(2)3;2*1-3-2;/h1-3H,4H2;1-3H3;2*1-2H3;/q-1;;2*-1;+3
InChIKeyFYNCUQQYJCBZSQ-UHFFFAOYSA-N
XLogP3.91
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 53.91
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 18766778?
The IUPAC name of CID 18766778 (CID 18766778) is not available.
What is the SMILES notation for CID 18766778?
The canonical SMILES for CID 18766778 is C[N-]C.C[N-]C.C[Si](C)C.[C-]1=CC=CC1.[Ti+3].
What is the InChIKey of CID 18766778?
The InChIKey is FYNCUQQYJCBZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C3H9Si.2C2H6N.Ti/c1-2-4-5-3-1;1-4(2)3;2*1-3-2;/h1-3H,4H2;1-3H3;2*1-2H3;/q-1;;2*-1;+3.
What are the key properties of CID 18766778?
CID 18766778 has a molecular weight of 274.31 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18766778 is sourced from PubChem (CID 18766778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).