carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride

C6H9ClTi — CID 174301832

IUPACcarbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride
SMILESCl.[C-]1=CC=CC1.[CH3-].[Ti+2]
InChIInChI=1S/C5H5.CH3.ClH.Ti/c1-2-4-5-3-1;;;/h1-3H,4H2;1H3;1H;/q2*-1;;+2
InChIKeyQFYWEBFOEVBOHV-UHFFFAOYSA-N
MW164.46 g/mol
LogP2.18
Rot. Bonds

About carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride

carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride (PubChem CID 174301832) has the molecular formula C6H9ClTi and a molecular weight of 164.46 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride.

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride
PubChem CID174301832
Molecular FormulaC6H9ClTi
Molecular Weight164.46 g/mol
Exact Mass163.99
IUPAC Namecarbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride
SMILESCl.[C-]1=CC=CC1.[CH3-].[Ti+2]
InChIInChI=1S/C5H5.CH3.ClH.Ti/c1-2-4-5-3-1;;;/h1-3H,4H2;1H3;1H;/q2*-1;;+2
InChIKeyQFYWEBFOEVBOHV-UHFFFAOYSA-N
XLogP2.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.46
LogP ≤ 52.18
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

bis(cyclopenta-1,3-diene);titanium(2+);hydrochloride
CID 20516591
carbanide;tris(cyclopenta-1,3-diene);tris(hafnium(4+));trihydrochloride
CID 173293314
carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+)
CID 175390139
carbanide;cyclopenta-1,3-diene;platinum(4+)
CID 53443065
bis(cyclopenta-1,3-diene);hafnium;hydrochloride
CID 87593145
bis(cyclopenta-1,3-diene);niobium(2+);dihydrochloride
CID 87245014
carbanide;cyclopenta-1,3-diene;zinc
CID 173150447
zinc;carbanide;cyclopenta-1,3-diene
CID 23116545
cyclopenta-1,3-diene;niobium;tetrahydrochloride
CID 173012463
carbanide;pentakis(cyclopenta-1,3-diene);platinum
CID 175422555
carbanide;cyclopenta-1,3-diene;iridium tetrahydride
CID 173399564
carbanide;cyclopenta-1,3-diene;osmium(2+)
CID 140608310

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride?
The IUPAC name of carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride (CID 174301832) is carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride.
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride is Cl.[C-]1=CC=CC1.[CH3-].[Ti+2].
What is the InChIKey of carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride?
The InChIKey is QFYWEBFOEVBOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.CH3.ClH.Ti/c1-2-4-5-3-1;;;/h1-3H,4H2;1H3;1H;/q2*-1;;+2.
What are the key properties of carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride?
carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride has a molecular weight of 164.46 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride is sourced from PubChem (CID 174301832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).