butane;dichlorotitanium

C8H18Cl2Ti-2 — CID 12072857

IUPACbutane;dichlorotitanium
SMILESCl[Ti]Cl.[CH2-]CCC.[CH2-]CCC
InChIInChI=1S/2C4H9.2ClH.Ti/c2*1-3-4-2;;;/h2*1,3-4H2,2H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyMXXZBMDFOZKODG-UHFFFAOYSA-L
MW233.00 g/mol
LogP4.62
Rot. Bonds2

About butane;dichlorotitanium

butane;dichlorotitanium (PubChem CID 12072857) has the molecular formula C8H18Cl2Ti-2 and a molecular weight of 233.00 g/mol. Its IUPAC name is butane;dichlorotitanium.

Molecular Properties

Compound Namebutane;dichlorotitanium
PubChem CID12072857
Molecular FormulaC8H18Cl2Ti-2
Molecular Weight233.00 g/mol
Exact Mass232.03
IUPAC Namebutane;dichlorotitanium
SMILESCl[Ti]Cl.[CH2-]CCC.[CH2-]CCC
InChIInChI=1S/2C4H9.2ClH.Ti/c2*1-3-4-2;;;/h2*1,3-4H2,2H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyMXXZBMDFOZKODG-UHFFFAOYSA-L
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.00
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze butane;dichlorotitanium with MolForge

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

Launch Full Analysis

Related Compounds

beryllium;butane;bromide
CID 88723296
dichlorotitanium;bis(pentane)
CID 18688492
butane;chlorotitanium(1+)
CID 141052543
butane;chlorotitanium(3+)
CID 24940344
butane;platinum(2+)
CID 85439871
butane;nickel
CID 57419181
butane;terbium(3+)
CID 21057379
butane;lithium(1-)
CID 154172744
butane;tris(rubidium(1+))
CID 59203345
magnesium;butane;chloride
CID 6101660
butane;carbanide;zirconium(4+)
CID 154094622
potassium;butane;trihydrofluoride
CID 175562651

Frequently Asked Questions

What is the IUPAC name of butane;dichlorotitanium?
The IUPAC name of butane;dichlorotitanium (CID 12072857) is butane;dichlorotitanium.
What is the SMILES notation for butane;dichlorotitanium?
The canonical SMILES for butane;dichlorotitanium is Cl[Ti]Cl.[CH2-]CCC.[CH2-]CCC.
What is the InChIKey of butane;dichlorotitanium?
The InChIKey is MXXZBMDFOZKODG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H9.2ClH.Ti/c2*1-3-4-2;;;/h2*1,3-4H2,2H3;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of butane;dichlorotitanium?
butane;dichlorotitanium has a molecular weight of 233.00 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;dichlorotitanium is sourced from PubChem (CID 12072857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).