propane;titanium(3+);hydrochloride

C9H22ClTi — CID 174396980

IUPACpropane;titanium(3+);hydrochloride
SMILESC[CH-]C.C[CH-]C.C[CH-]C.Cl.[Ti+3]
InChIInChI=1S/3C3H7.ClH.Ti/c3*1-3-2;;/h3*3H,1-2H3;1H;/q3*-1;;+3
InChIKeyLYSWOOSNLFGWGM-UHFFFAOYSA-N
MW213.59 g/mol
LogP4.11
Rot. Bonds

About propane;titanium(3+);hydrochloride

propane;titanium(3+);hydrochloride (PubChem CID 174396980) has the molecular formula C9H22ClTi and a molecular weight of 213.59 g/mol. Its IUPAC name is propane;titanium(3+);hydrochloride.

Molecular Properties

Compound Namepropane;titanium(3+);hydrochloride
PubChem CID174396980
Molecular FormulaC9H22ClTi
Molecular Weight213.59 g/mol
Exact Mass213.09
IUPAC Namepropane;titanium(3+);hydrochloride
SMILESC[CH-]C.C[CH-]C.C[CH-]C.Cl.[Ti+3]
InChIInChI=1S/3C3H7.ClH.Ti/c3*1-3-2;;/h3*3H,1-2H3;1H;/q3*-1;;+3
InChIKeyLYSWOOSNLFGWGM-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.59
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze propane;titanium(3+);hydrochloride 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

cerium;propane
CID 148549008
propane;zirconium(3+)
CID 175523428
propane;scandium
CID 154383426
niobium;propane
CID 154180408
propane;(yttrium)
CID 155620339
methane;propane;yttrium
CID 159544096
azanide;hafnium;propane
CID 87628599
lithium;propane;chloride
CID 58444172
sodium;propane;sulfane
CID 172838595
propane;zirconium(4+);trihydroxide
CID 165025290
lithium;copper(1+);hydride;propane
CID 174655433
carbanide;propane;tungsten;tungsten(2+)
CID 20687856

Frequently Asked Questions

What is the IUPAC name of propane;titanium(3+);hydrochloride?
The IUPAC name of propane;titanium(3+);hydrochloride (CID 174396980) is propane;titanium(3+);hydrochloride.
What is the SMILES notation for propane;titanium(3+);hydrochloride?
The canonical SMILES for propane;titanium(3+);hydrochloride is C[CH-]C.C[CH-]C.C[CH-]C.Cl.[Ti+3].
What is the InChIKey of propane;titanium(3+);hydrochloride?
The InChIKey is LYSWOOSNLFGWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H7.ClH.Ti/c3*1-3-2;;/h3*3H,1-2H3;1H;/q3*-1;;+3.
What are the key properties of propane;titanium(3+);hydrochloride?
propane;titanium(3+);hydrochloride has a molecular weight of 213.59 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propane;titanium(3+);hydrochloride is sourced from PubChem (CID 174396980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).