propane;trichlorozirconium

C3H7Cl3Zr- — CID 18688261

IUPACpropane;trichlorozirconium
SMILESCl[Zr](Cl)Cl.[CH2-]CC
InChIInChI=1S/C3H7.3ClH.Zr/c1-3-2;;;;/h1,3H2,2H3;3*1H;/q-1;;;;+3/p-3
InChIKeyCOTCZXCZRFZEPR-UHFFFAOYSA-K
MW240.67 g/mol
LogP3.30
Rot. Bonds

About propane;trichlorozirconium

propane;trichlorozirconium (PubChem CID 18688261) has the molecular formula C3H7Cl3Zr- and a molecular weight of 240.67 g/mol. Its IUPAC name is propane;trichlorozirconium.

Molecular Properties

Compound Namepropane;trichlorozirconium
PubChem CID18688261
Molecular FormulaC3H7Cl3Zr-
Molecular Weight240.67 g/mol
Exact Mass237.87
IUPAC Namepropane;trichlorozirconium
SMILESCl[Zr](Cl)Cl.[CH2-]CC
InChIInChI=1S/C3H7.3ClH.Zr/c1-3-2;;;;/h1,3H2,2H3;3*1H;/q-1;;;;+3/p-3
InChIKeyCOTCZXCZRFZEPR-UHFFFAOYSA-K
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze propane;trichlorozirconium 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;sodium;propane
CID 134905882
propane;uranium
CID 58593144
silver propane
CID 18629779
hafnium(4+);propane;dihydroxide
CID 172837789
carbanide;chromium(2+);propane
CID 20668840
propane;titanium(2+);dihydrate
CID 164789327
potassium;carbanide;propane
CID 58491724
propane;zirconium(4+);trihydroxide
CID 165042309
carbanide;methane;propane;yttrium
CID 160670270
butane;nickel
CID 57419181
copper;lithium;hydride;propane
CID 173441797
N-ethylethanamine;tungsten(2+)
CID 22952926

Frequently Asked Questions

What is the IUPAC name of propane;trichlorozirconium?
The IUPAC name of propane;trichlorozirconium (CID 18688261) is propane;trichlorozirconium.
What is the SMILES notation for propane;trichlorozirconium?
The canonical SMILES for propane;trichlorozirconium is Cl[Zr](Cl)Cl.[CH2-]CC.
What is the InChIKey of propane;trichlorozirconium?
The InChIKey is COTCZXCZRFZEPR-UHFFFAOYSA-K. The full InChI is InChI=1S/C3H7.3ClH.Zr/c1-3-2;;;;/h1,3H2,2H3;3*1H;/q-1;;;;+3/p-3.
What are the key properties of propane;trichlorozirconium?
propane;trichlorozirconium has a molecular weight of 240.67 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propane;trichlorozirconium is sourced from PubChem (CID 18688261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).