carbanide;5-methylcyclopenta-1,3-diene;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+)

C18H26Zr — CID 151848047

IUPACcarbanide;5-methylcyclopenta-1,3-diene;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+)
SMILESCC1[C-]=CC2=C1CCCC2.C[c-]1cccc1.[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/C10H13.C6H7.2CH3.Zr/c1-8-6-7-9-4-2-3-5-10(8)9;1-6-4-2-3-5-6;;;/h7-8H,2-5H2,1H3;2-5H,1H3;2*1H3;/q4*-1;+4
InChIKeySIBSGKSZWRYIBH-UHFFFAOYSA-N
MW333.63 g/mol
LogP5.48
Rot. Bonds

About carbanide;5-methylcyclopenta-1,3-diene;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+)

carbanide;5-methylcyclopenta-1,3-diene;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+) (PubChem CID 151848047) has the molecular formula C18H26Zr and a molecular weight of 333.63 g/mol. Its IUPAC name is carbanide;5-methylcyclopenta-1,3-diene;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+).

Molecular Properties

Compound Namecarbanide;5-methylcyclopenta-1,3-diene;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+)
PubChem CID151848047
Molecular FormulaC18H26Zr
Molecular Weight333.63 g/mol
Exact Mass332.11
IUPAC Namecarbanide;5-methylcyclopenta-1,3-diene;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+)
SMILESCC1[C-]=CC2=C1CCCC2.C[c-]1cccc1.[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/C10H13.C6H7.2CH3.Zr/c1-8-6-7-9-4-2-3-5-10(8)9;1-6-4-2-3-5-6;;;/h7-8H,2-5H2,1H3;2-5H,1H3;2*1H3;/q4*-1;+4
InChIKeySIBSGKSZWRYIBH-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.63
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze carbanide;5-methylcyclopenta-1,3-diene;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+) with MolForge

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Launch Full Analysis

Related Compounds

1H-inden-1-ide;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+);dibromide
CID 157369632
1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;1-(2-methylpropyl)-1,2-dihydroinden-2-ide;titanium(4+);dichloride
CID 158169488
bis(5-methylcyclopenta-1,3-diene);zirconium(4+)
CID 159550876
carbanide;1,2,4,5,6,7-hexahydroinden-2-id-1-ylmethylsilane;titanium(4+)
CID 173302708
[(1R)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;[(1S)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;zirconium(4+);dichloride
CID 18683641
7,8-dimethylbicyclo[4.2.0]oct-1(6)-ene
CID 71341111
5-methylcyclopenta-1,3-diene;trichlorozirconium
CID 154420195
methanol;1-methyl-4,5,6,7-tetrahydro-1H-indene;titanium
CID 175591795
7-bromo-5-methyl-1,2,3,4,5,6-hexahydronaphthalene
CID 145118764
carbanide;1-[2-[(1R)-4,5,6,7-tetrahydro-1H-inden-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indene;titanium(2+)
CID 22831435
2-chloro-1-[1-(2-chloro-4,5,6,7-tetrahydro-1H-inden-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene
CID 140968404
cyclobutylidenezirconium;bis(dimethylazanide);1H-inden-1-ide;5-methylcyclopenta-1,3-diene
CID 160665754

Frequently Asked Questions

What is the IUPAC name of carbanide;5-methylcyclopenta-1,3-diene;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+)?
The IUPAC name of carbanide;5-methylcyclopenta-1,3-diene;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+) (CID 151848047) is carbanide;5-methylcyclopenta-1,3-diene;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+).
What is the SMILES notation for carbanide;5-methylcyclopenta-1,3-diene;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+)?
The canonical SMILES for carbanide;5-methylcyclopenta-1,3-diene;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+) is CC1[C-]=CC2=C1CCCC2.C[c-]1cccc1.[CH3-].[CH3-].[Zr+4].
What is the InChIKey of carbanide;5-methylcyclopenta-1,3-diene;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+)?
The InChIKey is SIBSGKSZWRYIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13.C6H7.2CH3.Zr/c1-8-6-7-9-4-2-3-5-10(8)9;1-6-4-2-3-5-6;;;/h7-8H,2-5H2,1H3;2-5H,1H3;2*1H3;/q4*-1;+4.
What are the key properties of carbanide;5-methylcyclopenta-1,3-diene;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+)?
carbanide;5-methylcyclopenta-1,3-diene;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+) has a molecular weight of 333.63 g/mol, XLogP of 5.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;5-methylcyclopenta-1,3-diene;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+) is sourced from PubChem (CID 151848047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).