CID 126960956

C15H20Cl2Ti — CID 126960956

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.Cl[Ti]Cl.[CH]1[CH][CH][CH][CH]1
InChIInChI=1S/C10H15.C5H5.2ClH.Ti/c1-6-7(2)9(4)10(5)8(6)3;1-2-4-5-3-1;;;/h1-5H3;1-5H;2*1H;/q;;;;+2/p-2
InChIKeyUIVZVGBGNPIBBC-UHFFFAOYSA-L
MW319.10 g/mol
LogP5.37
Rot. Bonds

About CID 126960956

CID 126960956 (PubChem CID 126960956) has the molecular formula C15H20Cl2Ti and a molecular weight of 319.10 g/mol.

Molecular Properties

Compound NameCID 126960956
PubChem CID126960956
Molecular FormulaC15H20Cl2Ti
Molecular Weight319.10 g/mol
Exact Mass318.04
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.Cl[Ti]Cl.[CH]1[CH][CH][CH][CH]1
InChIInChI=1S/C10H15.C5H5.2ClH.Ti/c1-6-7(2)9(4)10(5)8(6)3;1-2-4-5-3-1;;;/h1-5H3;1-5H;2*1H;/q;;;;+2/p-2
InChIKeyUIVZVGBGNPIBBC-UHFFFAOYSA-L
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.10
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze CID 126960956 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 126960956?
The IUPAC name of CID 126960956 (CID 126960956) is not available.
What is the SMILES notation for CID 126960956?
The canonical SMILES for CID 126960956 is C[C]1[C](C)[C](C)[C](C)[C]1C.Cl[Ti]Cl.[CH]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 126960956?
The InChIKey is UIVZVGBGNPIBBC-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H15.C5H5.2ClH.Ti/c1-6-7(2)9(4)10(5)8(6)3;1-2-4-5-3-1;;;/h1-5H3;1-5H;2*1H;/q;;;;+2/p-2.
What are the key properties of CID 126960956?
CID 126960956 has a molecular weight of 319.10 g/mol, XLogP of 5.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 126960956 is sourced from PubChem (CID 126960956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).