CID 134902645

C10H9Ti — CID 134902645

IUPAC—
SMILES[C-]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+]
InChIInChI=1S/C5H5.C5H4.Ti/c2*1-2-4-5-3-1;/h1-5H;1-4H;/q;-1;+1
InChIKeyWSMNCGIUQHBVGD-UHFFFAOYSA-N
MW177.05 g/mol
LogP1.92
Rot. Bonds

About CID 134902645

CID 134902645 (PubChem CID 134902645) has the molecular formula C10H9Ti and a molecular weight of 177.05 g/mol.

Molecular Properties

Compound NameCID 134902645
PubChem CID134902645
Molecular FormulaC10H9Ti
Molecular Weight177.05 g/mol
Exact Mass177.02
IUPAC Name—
SMILES[C-]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+]
InChIInChI=1S/C5H5.C5H4.Ti/c2*1-2-4-5-3-1;/h1-5H;1-4H;/q;-1;+1
InChIKeyWSMNCGIUQHBVGD-UHFFFAOYSA-N
XLogP1.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.05
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134902645?
The IUPAC name of CID 134902645 (CID 134902645) is not available.
What is the SMILES notation for CID 134902645?
The canonical SMILES for CID 134902645 is [C-]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+].
What is the InChIKey of CID 134902645?
The InChIKey is WSMNCGIUQHBVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C5H4.Ti/c2*1-2-4-5-3-1;/h1-5H;1-4H;/q;-1;+1.
What are the key properties of CID 134902645?
CID 134902645 has a molecular weight of 177.05 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902645 is sourced from PubChem (CID 134902645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).