CID 134888696

C15H19ClTi — CID 134888696

IUPAC—
SMILESCl[Ti+].[CH2-]C=C(C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1
InChIInChI=1S/2C5H5.C5H9.ClH.Ti/c2*1-2-4-5-3-1;1-4-5(2)3;;/h2*1-5H;4H,1H2,2-3H3;1H;/q;;-1;;+2/p-1
InChIKeyUYOSLJXQUCEOTN-UHFFFAOYSA-M
MW282.64 g/mol
LogP4.52
Rot. Bonds

About CID 134888696

CID 134888696 (PubChem CID 134888696) has the molecular formula C15H19ClTi and a molecular weight of 282.64 g/mol.

Molecular Properties

Compound NameCID 134888696
PubChem CID134888696
Molecular FormulaC15H19ClTi
Molecular Weight282.64 g/mol
Exact Mass282.07
IUPAC Name—
SMILESCl[Ti+].[CH2-]C=C(C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1
InChIInChI=1S/2C5H5.C5H9.ClH.Ti/c2*1-2-4-5-3-1;1-4-5(2)3;;/h2*1-5H;4H,1H2,2-3H3;1H;/q;;-1;;+2/p-1
InChIKeyUYOSLJXQUCEOTN-UHFFFAOYSA-M
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.64
LogP ≤ 54.52
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 134888696?
The IUPAC name of CID 134888696 (CID 134888696) is not available.
What is the SMILES notation for CID 134888696?
The canonical SMILES for CID 134888696 is Cl[Ti+].[CH2-]C=C(C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 134888696?
The InChIKey is UYOSLJXQUCEOTN-UHFFFAOYSA-M. The full InChI is InChI=1S/2C5H5.C5H9.ClH.Ti/c2*1-2-4-5-3-1;1-4-5(2)3;;/h2*1-5H;4H,1H2,2-3H3;1H;/q;;-1;;+2/p-1.
What are the key properties of CID 134888696?
CID 134888696 has a molecular weight of 282.64 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134888696 is sourced from PubChem (CID 134888696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).