carbanide;2-methylpropane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+)

C15H28Ti — CID 175026687

IUPACcarbanide;2-methylpropane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+)
SMILESCC1=[C-]C(C)C(C)=C1C.C[C-](C)C.[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C9H13.C4H9.2CH3.Ti/c1-6-5-7(2)9(4)8(6)3;1-4(2)3;;;/h6H,1-4H3;1-3H3;2*1H3;/q4*-1;+4
InChIKeyHQLIREJLLNVFHC-UHFFFAOYSA-N
MW256.26 g/mol
LogP5.24
Rot. Bonds

About carbanide;2-methylpropane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+)

carbanide;2-methylpropane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+) (PubChem CID 175026687) has the molecular formula C15H28Ti and a molecular weight of 256.26 g/mol. Its IUPAC name is carbanide;2-methylpropane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+).

Molecular Properties

Compound Namecarbanide;2-methylpropane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+)
PubChem CID175026687
Molecular FormulaC15H28Ti
Molecular Weight256.26 g/mol
Exact Mass256.17
IUPAC Namecarbanide;2-methylpropane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+)
SMILESCC1=[C-]C(C)C(C)=C1C.C[C-](C)C.[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C9H13.C4H9.2CH3.Ti/c1-6-5-7(2)9(4)8(6)3;1-4(2)3;;;/h6H,1-4H3;1-3H3;2*1H3;/q4*-1;+4
InChIKeyHQLIREJLLNVFHC-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.26
LogP ≤ 55.24
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(1,2,3,5-tetramethylcyclopenta-1,3-diene);zirconium(2+)
CID 18431322
neodymium(3+);tris(1,2,3,5-tetramethylcyclopenta-1,3-diene)
CID 74765419
cobalt(3+);tris(1,2,3,5-tetramethylcyclopenta-1,3-diene)
CID 173069398
1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium;dihydrofluoride
CID 174493495
1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(3+);dichloride
CID 87514830
ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)
CID 18925878
(2,3-dimethyl-3-silylbutan-2-yl)azanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride
CID 173178949
methylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride
CID 19351721
CID 175042659
CID 175042659
CID 173031450
CID 173031450
N-methanidyl-N-methylmethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)
CID 87721595
CID 173474651
CID 173474651

Frequently Asked Questions

What is the IUPAC name of carbanide;2-methylpropane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+)?
The IUPAC name of carbanide;2-methylpropane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+) (CID 175026687) is carbanide;2-methylpropane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+).
What is the SMILES notation for carbanide;2-methylpropane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+)?
The canonical SMILES for carbanide;2-methylpropane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+) is CC1=[C-]C(C)C(C)=C1C.C[C-](C)C.[CH3-].[CH3-].[Ti+4].
What is the InChIKey of carbanide;2-methylpropane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+)?
The InChIKey is HQLIREJLLNVFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.C4H9.2CH3.Ti/c1-6-5-7(2)9(4)8(6)3;1-4(2)3;;;/h6H,1-4H3;1-3H3;2*1H3;/q4*-1;+4.
What are the key properties of carbanide;2-methylpropane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+)?
carbanide;2-methylpropane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+) has a molecular weight of 256.26 g/mol, XLogP of 5.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-methylpropane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+) is sourced from PubChem (CID 175026687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).