carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;titanium(4+)

C16H18Ti — CID 15303001

IUPACcarbanide;cyclopenta-1,3-diene;1H-inden-1-ide;titanium(4+)
SMILES[CH3-].[CH3-].[Ti+4].c1cc[cH-]c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C5H5.2CH3.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;;;/h1-7H;1-5H;2*1H3;/q4*-1;+4
InChIKeyYMFRAZKZRAXKHU-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.86
Rot. Bonds

About carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;titanium(4+)

carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;titanium(4+) (PubChem CID 15303001) has the molecular formula C16H18Ti and a molecular weight of 258.19 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;titanium(4+).

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;1H-inden-1-ide;titanium(4+)
PubChem CID15303001
Molecular FormulaC16H18Ti
Molecular Weight258.19 g/mol
Exact Mass258.09
IUPAC Namecarbanide;cyclopenta-1,3-diene;1H-inden-1-ide;titanium(4+)
SMILES[CH3-].[CH3-].[Ti+4].c1cc[cH-]c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C5H5.2CH3.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;;;/h1-7H;1-5H;2*1H3;/q4*-1;+4
InChIKeyYMFRAZKZRAXKHU-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.86
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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Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;titanium(4+)?
The IUPAC name of carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;titanium(4+) (CID 15303001) is carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;titanium(4+).
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;titanium(4+)?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;titanium(4+) is [CH3-].[CH3-].[Ti+4].c1cc[cH-]c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;titanium(4+)?
The InChIKey is YMFRAZKZRAXKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7.C5H5.2CH3.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;;;/h1-7H;1-5H;2*1H3;/q4*-1;+4.
What are the key properties of carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;titanium(4+)?
carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;titanium(4+) has a molecular weight of 258.19 g/mol, XLogP of 4.86, 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;1H-inden-1-ide;titanium(4+) is sourced from PubChem (CID 15303001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).