CID 135047558

C18H28Ti — CID 135047558

IUPAC—
SMILES[CH2-]CCC.[CH2-]CCC.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+2]
InChIInChI=1S/2C5H5.2C4H9.Ti/c2*1-2-4-5-3-1;2*1-3-4-2;/h2*1-5H;2*1,3-4H2,2H3;/q;;2*-1;+2
InChIKeyJHVFEWFCMIIPOB-UHFFFAOYSA-N
MW292.29 g/mol
LogP5.28
Rot. Bonds2

About CID 135047558

CID 135047558 (PubChem CID 135047558) has the molecular formula C18H28Ti and a molecular weight of 292.29 g/mol.

Molecular Properties

Compound NameCID 135047558
PubChem CID135047558
Molecular FormulaC18H28Ti
Molecular Weight292.29 g/mol
Exact Mass292.17
IUPAC Name—
SMILES[CH2-]CCC.[CH2-]CCC.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+2]
InChIInChI=1S/2C5H5.2C4H9.Ti/c2*1-2-4-5-3-1;2*1-3-4-2;/h2*1-5H;2*1,3-4H2,2H3;/q;;2*-1;+2
InChIKeyJHVFEWFCMIIPOB-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.29
LogP ≤ 55.28
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 135047558?
The IUPAC name of CID 135047558 (CID 135047558) is not available.
What is the SMILES notation for CID 135047558?
The canonical SMILES for CID 135047558 is [CH2-]CCC.[CH2-]CCC.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+2].
What is the InChIKey of CID 135047558?
The InChIKey is JHVFEWFCMIIPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.2C4H9.Ti/c2*1-2-4-5-3-1;2*1-3-4-2;/h2*1-5H;2*1,3-4H2,2H3;/q;;2*-1;+2.
What are the key properties of CID 135047558?
CID 135047558 has a molecular weight of 292.29 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135047558 is sourced from PubChem (CID 135047558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).