carbanide;2-cyclohexyl-3a,4-dihydro-1H-pentalen-4-ide;cyclopenta-1,4-dien-1-ylbenzene;ethane;tungsten(2+);yttrium

C28H34WY-2 — CID 165008086

About carbanide;2-cyclohexyl-3a,4-dihydro-1H-pentalen-4-ide;cyclopenta-1,4-dien-1-ylbenzene;ethane;tungsten(2+);yttrium

carbanide;2-cyclohexyl-3a,4-dihydro-1H-pentalen-4-ide;cyclopenta-1,4-dien-1-ylbenzene;ethane;tungsten(2+);yttrium (PubChem CID 165008086) has the molecular formula C28H34WY-2 and a molecular weight of 643.33 g/mol. Its IUPAC name is carbanide;2-cyclohexyl-3a,4-dihydro-1H-pentalen-4-ide;cyclopenta-1,4-dien-1-ylbenzene;ethane;tungsten(2+);yttrium.

Molecular Properties

• Compound Name: carbanide;2-cyclohexyl-3a,4-dihydro-1H-pentalen-4-ide;cyclopenta-1,4-dien-1-ylbenzene;ethane;tungsten(2+);yttrium
• PubChem CID: 165008086
• Molecular Formula: C28H34WY-2
• Molecular Weight: 643.33 g/mol
• Exact Mass: 643.12
• IUPAC Name: carbanide;2-cyclohexyl-3a,4-dihydro-1H-pentalen-4-ide;cyclopenta-1,4-dien-1-ylbenzene;ethane;tungsten(2+);yttrium
• SMILES: CC.[C-]1=CC(c2ccccc2)=CC1.[C-]1=CC=C2CC([C-]3CCCCC3)=CC12.[CH3-].[W+2].[Y]
• InChI: InChI=1S/C14H16.C11H9.C2H6.CH3.W.Y/c1-2-5-11(6-3-1)14-9-12-7-4-8-13(12)10-14;1-2-6-10(7-3-1)11-8-4-5-9-11;1-2;;;/h4,7,10,13H,1-3,5-6,9H2;1-3,6-9H,4H2;1-2H3;1H3;;/q-2;-1;;-1;+2
• InChIKey: GKVUZUUHZXBCJE-UHFFFAOYSA-N
• XLogP: 8.08
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	643.33
LogP ≤ 5	8.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;2-cyclohexyl-3a,4-dihydro-1H-pentalen-4-ide;cyclopenta-1,4-dien-1-ylbenzene;ethane;tungsten(2+);yttrium?

The IUPAC name of carbanide;2-cyclohexyl-3a,4-dihydro-1H-pentalen-4-ide;cyclopenta-1,4-dien-1-ylbenzene;ethane;tungsten(2+);yttrium (CID 165008086) is carbanide;2-cyclohexyl-3a,4-dihydro-1H-pentalen-4-ide;cyclopenta-1,4-dien-1-ylbenzene;ethane;tungsten(2+);yttrium.

What is the SMILES notation for carbanide;2-cyclohexyl-3a,4-dihydro-1H-pentalen-4-ide;cyclopenta-1,4-dien-1-ylbenzene;ethane;tungsten(2+);yttrium?

The canonical SMILES for carbanide;2-cyclohexyl-3a,4-dihydro-1H-pentalen-4-ide;cyclopenta-1,4-dien-1-ylbenzene;ethane;tungsten(2+);yttrium is CC.[C-]1=CC(c2ccccc2)=CC1.[C-]1=CC=C2CC([C-]3CCCCC3)=CC12.[CH3-].[W+2].[Y].

What is the InChIKey of carbanide;2-cyclohexyl-3a,4-dihydro-1H-pentalen-4-ide;cyclopenta-1,4-dien-1-ylbenzene;ethane;tungsten(2+);yttrium?

The InChIKey is GKVUZUUHZXBCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C11H9.C2H6.CH3.W.Y/c1-2-5-11(6-3-1)14-9-12-7-4-8-13(12)10-14;1-2-6-10(7-3-1)11-8-4-5-9-11;1-2;;;/h4,7,10,13H,1-3,5-6,9H2;1-3,6-9H,4H2;1-2H3;1H3;;/q-2;-1;;-1;+2;.

What are the key properties of carbanide;2-cyclohexyl-3a,4-dihydro-1H-pentalen-4-ide;cyclopenta-1,4-dien-1-ylbenzene;ethane;tungsten(2+);yttrium?

carbanide;2-cyclohexyl-3a,4-dihydro-1H-pentalen-4-ide;cyclopenta-1,4-dien-1-ylbenzene;ethane;tungsten(2+);yttrium has a molecular weight of 643.33 g/mol, XLogP of 8.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;2-cyclohexyl-3a,4-dihydro-1H-pentalen-4-ide;cyclopenta-1,4-dien-1-ylbenzene;ethane;tungsten(2+);yttrium is sourced from PubChem (CID 165008086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).