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

C18H20Ti — CID 151618856

IUPACcarbanide;cyclopenta-1,3-diene;1H-inden-1-ide;prop-1-ene;titanium(4+)
SMILES[CH3-].[H]/[C-]=C\C.[Ti+4].c1cc[cH-]c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C5H5.C3H5.CH3.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;1-3-2;;/h1-7H;1-5H;1,3H,2H3;1H3;/q4*-1;+4
InChIKeyQOBPKQYLFSGYDG-UHFFFAOYSA-N
MW284.23 g/mol
LogP5.41
Rot. Bonds

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

carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;prop-1-ene;titanium(4+) (PubChem CID 151618856) has the molecular formula C18H20Ti and a molecular weight of 284.23 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;prop-1-ene;titanium(4+).

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;1H-inden-1-ide;prop-1-ene;titanium(4+)
PubChem CID151618856
Molecular FormulaC18H20Ti
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Namecarbanide;cyclopenta-1,3-diene;1H-inden-1-ide;prop-1-ene;titanium(4+)
SMILES[CH3-].[H]/[C-]=C\C.[Ti+4].c1cc[cH-]c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C5H5.C3H5.CH3.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;1-3-2;;/h1-7H;1-5H;1,3H,2H3;1H3;/q4*-1;+4
InChIKeyQOBPKQYLFSGYDG-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.23
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;prop-1-ene;titanium(4+) with MolForge

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Related Compounds

carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;titanium(4+)
CID 15303001
carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;iron
CID 176655072
carbanide;cyclopenta-1,3-diene;hafnium(4+);1H-inden-1-ide
CID 148548337
cyclopenta-1,3-diene;1H-inden-1-ide;titanium(2+)
CID 154419987
cyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+)
CID 175934824
cyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);1H-inden-1-ide;dichloride
CID 158276689
ethylidene(difluoro)zirconium;bis(1H-inden-1-ide)
CID 87203406
cyclopenta-1,3-diene;difluorozirconium(2+);1H-inden-1-ide
CID 141083945
cyclopenta-1,3-diene;dichlorozirconium(2+);1H-inden-1-ide
CID 15397844
carbanide;1H-inden-1-ide;titanium(3+);trichloride
CID 157275442
azanide;1H-inden-1-ide;titanium(4+);dichloride
CID 175964725
chloromethane;ethane;bis(1H-inden-1-ide);zirconium(4+)
CID 172681800

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;prop-1-ene;titanium(4+)?
The IUPAC name of carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;prop-1-ene;titanium(4+) (CID 151618856) is carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;prop-1-ene;titanium(4+).
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;prop-1-ene;titanium(4+)?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;prop-1-ene;titanium(4+) is [CH3-].[H]/[C-]=C\C.[Ti+4].c1cc[cH-]c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;prop-1-ene;titanium(4+)?
The InChIKey is QOBPKQYLFSGYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7.C5H5.C3H5.CH3.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;1-3-2;;/h1-7H;1-5H;1,3H,2H3;1H3;/q4*-1;+4.
What are the key properties of carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;prop-1-ene;titanium(4+)?
carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;prop-1-ene;titanium(4+) has a molecular weight of 284.23 g/mol, XLogP of 5.41, 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;prop-1-ene;titanium(4+) is sourced from PubChem (CID 151618856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).