butane;ethane;titanium(2+)

C6H14Ti — CID 154083235

IUPACbutane;ethane;titanium(2+)
SMILES[CH2-]C.[CH2-]CCC.[Ti+2]
InChIInChI=1S/C4H9.C2H5.Ti/c1-3-4-2;1-2;/h1,3-4H2,2H3;1H2,2H3;/q2*-1;+2
InChIKeyHVZQXIQFPFBVFT-UHFFFAOYSA-N
MW134.05 g/mol
LogP2.46
Rot. Bonds1

About butane;ethane;titanium(2+)

butane;ethane;titanium(2+) (PubChem CID 154083235) has the molecular formula C6H14Ti and a molecular weight of 134.05 g/mol. Its IUPAC name is butane;ethane;titanium(2+).

Molecular Properties

Compound Namebutane;ethane;titanium(2+)
PubChem CID154083235
Molecular FormulaC6H14Ti
Molecular Weight134.05 g/mol
Exact Mass134.06
IUPAC Namebutane;ethane;titanium(2+)
SMILES[CH2-]C.[CH2-]CCC.[Ti+2]
InChIInChI=1S/C4H9.C2H5.Ti/c1-3-4-2;1-2;/h1,3-4H2,2H3;1H2,2H3;/q2*-1;+2
InChIKeyHVZQXIQFPFBVFT-UHFFFAOYSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.05
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze butane;ethane;titanium(2+) 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

butane;ethane;bis(titanium(3+));hydrate
CID 88509097
butane;nickel
CID 57419181
butane;platinum(2+)
CID 85439871
butane;terbium(3+)
CID 21057379
butane;tris(rubidium(1+))
CID 59203345
butane;lithium(1-)
CID 154172744
CID 135047558
CID 135047558
zinc;butane;hydrobromide
CID 172807669
butane;carbanide;tungsten(2+);yttrium
CID 167712375
lithium;magnesium;butane
CID 24940261
magnesium;butane;carbanide
CID 59738430
CID 158650471
CID 158650471

Frequently Asked Questions

What is the IUPAC name of butane;ethane;titanium(2+)?
The IUPAC name of butane;ethane;titanium(2+) (CID 154083235) is butane;ethane;titanium(2+).
What is the SMILES notation for butane;ethane;titanium(2+)?
The canonical SMILES for butane;ethane;titanium(2+) is [CH2-]C.[CH2-]CCC.[Ti+2].
What is the InChIKey of butane;ethane;titanium(2+)?
The InChIKey is HVZQXIQFPFBVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.C2H5.Ti/c1-3-4-2;1-2;/h1,3-4H2,2H3;1H2,2H3;/q2*-1;+2.
What are the key properties of butane;ethane;titanium(2+)?
butane;ethane;titanium(2+) has a molecular weight of 134.05 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;titanium(2+) is sourced from PubChem (CID 154083235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).