(3aR,6aS)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ide;bis(yttrium)

C9H13Y2- — CID 162412287

IUPAC(3aR,6aS)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ide;bis(yttrium)
SMILESC=C1C[C@H]2C[CH-]C[C@H]2C1.[Y].[Y]
InChIInChI=1S/C9H13.2Y/c1-7-5-8-3-2-4-9(8)6-7;;/h2,8-9H,1,3-6H2;;/q-1;;/t8-,9+;;
InChIKeyFBNYELJGKZQUEI-DRJPZDRJSA-N
MW299.02 g/mol
LogP2.56
Rot. Bonds

About (3aR,6aS)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ide;bis(yttrium)

(3aR,6aS)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ide;bis(yttrium) (PubChem CID 162412287) has the molecular formula C9H13Y2- and a molecular weight of 299.02 g/mol. Its IUPAC name is (3aR,6aS)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ide;bis(yttrium).

Molecular Properties

Compound Name(3aR,6aS)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ide;bis(yttrium)
PubChem CID162412287
Molecular FormulaC9H13Y2-
Molecular Weight299.02 g/mol
Exact Mass298.91
IUPAC Name(3aR,6aS)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ide;bis(yttrium)
SMILESC=C1C[C@H]2C[CH-]C[C@H]2C1.[Y].[Y]
InChIInChI=1S/C9H13.2Y/c1-7-5-8-3-2-4-9(8)6-7;;/h2,8-9H,1,3-6H2;;/q-1;;/t8-,9+;;
InChIKeyFBNYELJGKZQUEI-DRJPZDRJSA-N
XLogP2.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.02
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ide;bis(yttrium)?
The IUPAC name of (3aR,6aS)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ide;bis(yttrium) (CID 162412287) is (3aR,6aS)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ide;bis(yttrium).
What is the SMILES notation for (3aR,6aS)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ide;bis(yttrium)?
The canonical SMILES for (3aR,6aS)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ide;bis(yttrium) is C=C1C[C@H]2C[CH-]C[C@H]2C1.[Y].[Y].
What is the InChIKey of (3aR,6aS)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ide;bis(yttrium)?
The InChIKey is FBNYELJGKZQUEI-DRJPZDRJSA-N. The full InChI is InChI=1S/C9H13.2Y/c1-7-5-8-3-2-4-9(8)6-7;;/h2,8-9H,1,3-6H2;;/q-1;;/t8-,9+;;.
What are the key properties of (3aR,6aS)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ide;bis(yttrium)?
(3aR,6aS)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ide;bis(yttrium) has a molecular weight of 299.02 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ide;bis(yttrium) is sourced from PubChem (CID 162412287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).