carbanide;cyclopenta-1,3-diene;titanium(4+);chloride

C7H11ClTi — CID 87905674

IUPACcarbanide;cyclopenta-1,3-diene;titanium(4+);chloride
SMILES[C-]1=CC=CC1.[CH3-].[CH3-].[Cl-].[Ti+4]
InChIInChI=1S/C5H5.2CH3.ClH.Ti/c1-2-4-5-3-1;;;;/h1-3H,4H2;2*1H3;1H;/q3*-1;;+4/p-1
InChIKeyFGINIWIQFTWEPM-UHFFFAOYSA-M
MW178.48 g/mol
LogP-0.79
Rot. Bonds

About carbanide;cyclopenta-1,3-diene;titanium(4+);chloride

carbanide;cyclopenta-1,3-diene;titanium(4+);chloride (PubChem CID 87905674) has the molecular formula C7H11ClTi and a molecular weight of 178.48 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;titanium(4+);chloride.

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;titanium(4+);chloride
PubChem CID87905674
Molecular FormulaC7H11ClTi
Molecular Weight178.48 g/mol
Exact Mass178.00
IUPAC Namecarbanide;cyclopenta-1,3-diene;titanium(4+);chloride
SMILES[C-]1=CC=CC1.[CH3-].[CH3-].[Cl-].[Ti+4]
InChIInChI=1S/C5H5.2CH3.ClH.Ti/c1-2-4-5-3-1;;;;/h1-3H,4H2;2*1H3;1H;/q3*-1;;+4/p-1
InChIKeyFGINIWIQFTWEPM-UHFFFAOYSA-M
XLogP-0.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.48
LogP ≤ 5-0.79
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

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CID 18934400
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CID 173166771
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CID 53443065
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CID 23116545
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CID 21269223
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CID 173150447
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
tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride
CID 22239884
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CID 87905661

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;titanium(4+);chloride?
The IUPAC name of carbanide;cyclopenta-1,3-diene;titanium(4+);chloride (CID 87905674) is carbanide;cyclopenta-1,3-diene;titanium(4+);chloride.
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;titanium(4+);chloride?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;titanium(4+);chloride is [C-]1=CC=CC1.[CH3-].[CH3-].[Cl-].[Ti+4].
What is the InChIKey of carbanide;cyclopenta-1,3-diene;titanium(4+);chloride?
The InChIKey is FGINIWIQFTWEPM-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5.2CH3.ClH.Ti/c1-2-4-5-3-1;;;;/h1-3H,4H2;2*1H3;1H;/q3*-1;;+4/p-1.
What are the key properties of carbanide;cyclopenta-1,3-diene;titanium(4+);chloride?
carbanide;cyclopenta-1,3-diene;titanium(4+);chloride has a molecular weight of 178.48 g/mol, XLogP of -0.79, 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(4+);chloride is sourced from PubChem (CID 87905674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).