CID 134888675

C8H11Cl2Ti — CID 134888675

IUPAC—
SMILESCC(C)C1=C[CH]C=C1.Cl[Ti]Cl
InChIInChI=1S/C8H11.2ClH.Ti/c1-7(2)8-5-3-4-6-8;;;/h3-7H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyFPLMAJVCHBSBEH-UHFFFAOYSA-L
MW225.95 g/mol
LogP3.72
Rot. Bonds1

About CID 134888675

CID 134888675 (PubChem CID 134888675) has the molecular formula C8H11Cl2Ti and a molecular weight of 225.95 g/mol.

Molecular Properties

Compound NameCID 134888675
PubChem CID134888675
Molecular FormulaC8H11Cl2Ti
Molecular Weight225.95 g/mol
Exact Mass224.97
IUPAC Name—
SMILESCC(C)C1=C[CH]C=C1.Cl[Ti]Cl
InChIInChI=1S/C8H11.2ClH.Ti/c1-7(2)8-5-3-4-6-8;;;/h3-7H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyFPLMAJVCHBSBEH-UHFFFAOYSA-L
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.95
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 134888675?
The IUPAC name of CID 134888675 (CID 134888675) is not available.
What is the SMILES notation for CID 134888675?
The canonical SMILES for CID 134888675 is CC(C)C1=C[CH]C=C1.Cl[Ti]Cl.
What is the InChIKey of CID 134888675?
The InChIKey is FPLMAJVCHBSBEH-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H11.2ClH.Ti/c1-7(2)8-5-3-4-6-8;;;/h3-7H,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of CID 134888675?
CID 134888675 has a molecular weight of 225.95 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134888675 is sourced from PubChem (CID 134888675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).