tris(prop-1-ene);titanium(4+);chloride

C9H15ClTi — CID 173363750

IUPACtris(prop-1-ene);titanium(4+);chloride
SMILESC=C[CH2-].C=C[CH2-].C=C[CH2-].[Cl-].[Ti+4]
InChIInChI=1S/3C3H5.ClH.Ti/c3*1-3-2;;/h3*3H,1-2H2;1H;/q3*-1;;+4/p-1
InChIKeyHUPKELBJHCCIAJ-UHFFFAOYSA-M
MW206.54 g/mol
LogP0.02
Rot. Bonds

About tris(prop-1-ene);titanium(4+);chloride

tris(prop-1-ene);titanium(4+);chloride (PubChem CID 173363750) has the molecular formula C9H15ClTi and a molecular weight of 206.54 g/mol. Its IUPAC name is tris(prop-1-ene);titanium(4+);chloride.

Molecular Properties

Compound Nametris(prop-1-ene);titanium(4+);chloride
PubChem CID173363750
Molecular FormulaC9H15ClTi
Molecular Weight206.54 g/mol
Exact Mass206.03
IUPAC Nametris(prop-1-ene);titanium(4+);chloride
SMILESC=C[CH2-].C=C[CH2-].C=C[CH2-].[Cl-].[Ti+4]
InChIInChI=1S/3C3H5.ClH.Ti/c3*1-3-2;;/h3*3H,1-2H2;1H;/q3*-1;;+4/p-1
InChIKeyHUPKELBJHCCIAJ-UHFFFAOYSA-M
XLogP0.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.54
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

prop-1-ene;titanium(4+);tribromide
CID 173162732
prop-1-ene;titanium(2+)
CID 20517449
prop-1-ene;zinc
CID 86166625
molybdenum(3+);tris(prop-1-ene)
CID 18615392
prop-1-ene;titanium(3+)
CID 175904617
neodymium(3+);prop-1-ene
CID 23088810
lithium;copper;prop-1-ene
CID 173194111
CID 139263487
CID 139263487
CID 173236591
CID 173236591
bis(prop-1-ene);titanium(2+);hydrochloride
CID 174941469
carbanide;prop-1-ene;tungsten(2+)
CID 59816484
methane;palladium;prop-1-ene
CID 175123096

Frequently Asked Questions

What is the IUPAC name of tris(prop-1-ene);titanium(4+);chloride?
The IUPAC name of tris(prop-1-ene);titanium(4+);chloride (CID 173363750) is tris(prop-1-ene);titanium(4+);chloride.
What is the SMILES notation for tris(prop-1-ene);titanium(4+);chloride?
The canonical SMILES for tris(prop-1-ene);titanium(4+);chloride is C=C[CH2-].C=C[CH2-].C=C[CH2-].[Cl-].[Ti+4].
What is the InChIKey of tris(prop-1-ene);titanium(4+);chloride?
The InChIKey is HUPKELBJHCCIAJ-UHFFFAOYSA-M. The full InChI is InChI=1S/3C3H5.ClH.Ti/c3*1-3-2;;/h3*3H,1-2H2;1H;/q3*-1;;+4/p-1.
What are the key properties of tris(prop-1-ene);titanium(4+);chloride?
tris(prop-1-ene);titanium(4+);chloride has a molecular weight of 206.54 g/mol, XLogP of 0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(prop-1-ene);titanium(4+);chloride is sourced from PubChem (CID 173363750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).