bis(cyclopenta-1,3-diene);methylbenzene;titanium(4+)

C24H24Ti — CID 15477637

IUPACbis(cyclopenta-1,3-diene);methylbenzene;titanium(4+)
SMILESCc1cc[c-]cc1.Cc1cc[c-]cc1.[Ti+4].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C7H7.2C5H5.Ti/c2*1-7-5-3-2-4-6-7;2*1-2-4-5-3-1;/h2*3-6H,1H3;2*1-5H;/q4*-1;+4
InChIKeyYMVJXUUFWURAAL-UHFFFAOYSA-N
MW360.32 g/mol
LogP6.40
Rot. Bonds

About bis(cyclopenta-1,3-diene);methylbenzene;titanium(4+)

bis(cyclopenta-1,3-diene);methylbenzene;titanium(4+) (PubChem CID 15477637) has the molecular formula C24H24Ti and a molecular weight of 360.32 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);methylbenzene;titanium(4+).

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);methylbenzene;titanium(4+)
PubChem CID15477637
Molecular FormulaC24H24Ti
Molecular Weight360.32 g/mol
Exact Mass360.14
IUPAC Namebis(cyclopenta-1,3-diene);methylbenzene;titanium(4+)
SMILESCc1cc[c-]cc1.Cc1cc[c-]cc1.[Ti+4].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C7H7.2C5H5.Ti/c2*1-7-5-3-2-4-6-7;2*1-2-4-5-3-1;/h2*3-6H,1H3;2*1-5H;/q4*-1;+4
InChIKeyYMVJXUUFWURAAL-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.32
LogP ≤ 56.40
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

mu-Methylene-mu-chlorobis(eta5-2,4-cyclopentadien-1-yl)(dimethylaluminum)titanium
CID 91617563
Titanium(4+) chloride cyclopenta-2,4-dien-1-ide methanide (1/1/2/1)
CID 15198661
Dichloro(dimethylgermyldi-pi-cyclopentadienyl)titanium
CID 6367065
Titanium(4+) chloride cyclopenta-2,4-dien-1-ide--trimethylgermyl (1/2/2/2)
CID 6367125
Dimethyl titanocene
CID 129651941
3,4-Dimethyl-1,1-diphenyl-2,5-dihydro-1H-germole
CID 13253323
Bis(cyclopentadienyl)diphenyltitanium
CID 12155692
Bis(cyclopentadienyl)dimethyltitanium
CID 14833055
Dibutylbis(cyclopentadienyl)zirconium
CID 14915751
Bis(cyclopentadienyl)dimethylzirconium(IV)
CID 15184078
Dicyclopentadienyldimethylhafnium
CID 15785239
Tributylstannylferrocene
CID 15963367

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);methylbenzene;titanium(4+)?
The IUPAC name of bis(cyclopenta-1,3-diene);methylbenzene;titanium(4+) (CID 15477637) is bis(cyclopenta-1,3-diene);methylbenzene;titanium(4+).
What is the SMILES notation for bis(cyclopenta-1,3-diene);methylbenzene;titanium(4+)?
The canonical SMILES for bis(cyclopenta-1,3-diene);methylbenzene;titanium(4+) is Cc1cc[c-]cc1.Cc1cc[c-]cc1.[Ti+4].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of bis(cyclopenta-1,3-diene);methylbenzene;titanium(4+)?
The InChIKey is YMVJXUUFWURAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7.2C5H5.Ti/c2*1-7-5-3-2-4-6-7;2*1-2-4-5-3-1;/h2*3-6H,1H3;2*1-5H;/q4*-1;+4.
What are the key properties of bis(cyclopenta-1,3-diene);methylbenzene;titanium(4+)?
bis(cyclopenta-1,3-diene);methylbenzene;titanium(4+) has a molecular weight of 360.32 g/mol, XLogP of 6.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);methylbenzene;titanium(4+) is sourced from PubChem (CID 15477637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).