carbanide;cyclododecylazanide;1-ethyl-4-methylcyclopenta-1,3-diene;titanium(4+)

C22H41NTi — CID 141087990

IUPACcarbanide;cyclododecylazanide;1-ethyl-4-methylcyclopenta-1,3-diene;titanium(4+)
SMILESCCc1ccc(C)[cH-]1.[CH3-].[CH3-].[NH-]C1CCCCCCCCCCC1.[Ti+4]
InChIInChI=1S/C12H24N.C8H11.2CH3.Ti/c13-12-10-8-6-4-2-1-3-5-7-9-11-12;1-3-8-5-4-7(2)6-8;;;/h12-13H,1-11H2;4-6H,3H2,1-2H3;2*1H3;/q4*-1;+4
InChIKeyMEVGENCERBARJM-UHFFFAOYSA-N
MW367.44 g/mol
LogP7.89
Rot. Bonds1

About carbanide;cyclododecylazanide;1-ethyl-4-methylcyclopenta-1,3-diene;titanium(4+)

carbanide;cyclododecylazanide;1-ethyl-4-methylcyclopenta-1,3-diene;titanium(4+) (PubChem CID 141087990) has the molecular formula C22H41NTi and a molecular weight of 367.44 g/mol. Its IUPAC name is carbanide;cyclododecylazanide;1-ethyl-4-methylcyclopenta-1,3-diene;titanium(4+).

Molecular Properties

Compound Namecarbanide;cyclododecylazanide;1-ethyl-4-methylcyclopenta-1,3-diene;titanium(4+)
PubChem CID141087990
Molecular FormulaC22H41NTi
Molecular Weight367.44 g/mol
Exact Mass367.27
IUPAC Namecarbanide;cyclododecylazanide;1-ethyl-4-methylcyclopenta-1,3-diene;titanium(4+)
SMILESCCc1ccc(C)[cH-]1.[CH3-].[CH3-].[NH-]C1CCCCCCCCCCC1.[Ti+4]
InChIInChI=1S/C12H24N.C8H11.2CH3.Ti/c13-12-10-8-6-4-2-1-3-5-7-9-11-12;1-3-8-5-4-7(2)6-8;;;/h12-13H,1-11H2;4-6H,3H2,1-2H3;2*1H3;/q4*-1;+4
InChIKeyMEVGENCERBARJM-UHFFFAOYSA-N
XLogP7.89
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.44
LogP ≤ 57.89
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;cyclododecylazanide;1-ethyl-4-methylcyclopenta-1,3-diene;titanium(4+)?
The IUPAC name of carbanide;cyclododecylazanide;1-ethyl-4-methylcyclopenta-1,3-diene;titanium(4+) (CID 141087990) is carbanide;cyclododecylazanide;1-ethyl-4-methylcyclopenta-1,3-diene;titanium(4+).
What is the SMILES notation for carbanide;cyclododecylazanide;1-ethyl-4-methylcyclopenta-1,3-diene;titanium(4+)?
The canonical SMILES for carbanide;cyclododecylazanide;1-ethyl-4-methylcyclopenta-1,3-diene;titanium(4+) is CCc1ccc(C)[cH-]1.[CH3-].[CH3-].[NH-]C1CCCCCCCCCCC1.[Ti+4].
What is the InChIKey of carbanide;cyclododecylazanide;1-ethyl-4-methylcyclopenta-1,3-diene;titanium(4+)?
The InChIKey is MEVGENCERBARJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N.C8H11.2CH3.Ti/c13-12-10-8-6-4-2-1-3-5-7-9-11-12;1-3-8-5-4-7(2)6-8;;;/h12-13H,1-11H2;4-6H,3H2,1-2H3;2*1H3;/q4*-1;+4.
What are the key properties of carbanide;cyclododecylazanide;1-ethyl-4-methylcyclopenta-1,3-diene;titanium(4+)?
carbanide;cyclododecylazanide;1-ethyl-4-methylcyclopenta-1,3-diene;titanium(4+) has a molecular weight of 367.44 g/mol, XLogP of 7.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclododecylazanide;1-ethyl-4-methylcyclopenta-1,3-diene;titanium(4+) is sourced from PubChem (CID 141087990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).