3,6a-dimethyl-4,6-dihydro-1aH-indeno[1,2-b]oxiren-4-ide;yttrium

C11H11OY- — CID 59758697

IUPAC3,6a-dimethyl-4,6-dihydro-1aH-indeno[1,2-b]oxiren-4-ide;yttrium
SMILESCc1[c-]cc2c(c1)C1OC1(C)C2.[Y]
InChIInChI=1S/C11H11O.Y/c1-7-3-4-8-6-11(2)10(12-11)9(8)5-7;/h4-5,10H,6H2,1-2H3;/q-1;
InChIKeyOKBSALMJMSMNHI-UHFFFAOYSA-N
MW248.11 g/mol
LogP2.18
Rot. Bonds

About 3,6a-dimethyl-4,6-dihydro-1aH-indeno[1,2-b]oxiren-4-ide;yttrium

3,6a-dimethyl-4,6-dihydro-1aH-indeno[1,2-b]oxiren-4-ide;yttrium (PubChem CID 59758697) has the molecular formula C11H11OY- and a molecular weight of 248.11 g/mol. Its IUPAC name is 3,6a-dimethyl-4,6-dihydro-1aH-indeno[1,2-b]oxiren-4-ide;yttrium.

Molecular Properties

Compound Name3,6a-dimethyl-4,6-dihydro-1aH-indeno[1,2-b]oxiren-4-ide;yttrium
PubChem CID59758697
Molecular FormulaC11H11OY-
Molecular Weight248.11 g/mol
Exact Mass247.99
IUPAC Name3,6a-dimethyl-4,6-dihydro-1aH-indeno[1,2-b]oxiren-4-ide;yttrium
SMILESCc1[c-]cc2c(c1)C1OC1(C)C2.[Y]
InChIInChI=1S/C11H11O.Y/c1-7-3-4-8-6-11(2)10(12-11)9(8)5-7;/h4-5,10H,6H2,1-2H3;/q-1;
InChIKeyOKBSALMJMSMNHI-UHFFFAOYSA-N
XLogP2.18
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6a-dimethyl-4,6-dihydro-1aH-indeno[1,2-b]oxiren-4-ide;yttrium?
The IUPAC name of 3,6a-dimethyl-4,6-dihydro-1aH-indeno[1,2-b]oxiren-4-ide;yttrium (CID 59758697) is 3,6a-dimethyl-4,6-dihydro-1aH-indeno[1,2-b]oxiren-4-ide;yttrium.
What is the SMILES notation for 3,6a-dimethyl-4,6-dihydro-1aH-indeno[1,2-b]oxiren-4-ide;yttrium?
The canonical SMILES for 3,6a-dimethyl-4,6-dihydro-1aH-indeno[1,2-b]oxiren-4-ide;yttrium is Cc1[c-]cc2c(c1)C1OC1(C)C2.[Y].
What is the InChIKey of 3,6a-dimethyl-4,6-dihydro-1aH-indeno[1,2-b]oxiren-4-ide;yttrium?
The InChIKey is OKBSALMJMSMNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11O.Y/c1-7-3-4-8-6-11(2)10(12-11)9(8)5-7;/h4-5,10H,6H2,1-2H3;/q-1;.
What are the key properties of 3,6a-dimethyl-4,6-dihydro-1aH-indeno[1,2-b]oxiren-4-ide;yttrium?
3,6a-dimethyl-4,6-dihydro-1aH-indeno[1,2-b]oxiren-4-ide;yttrium has a molecular weight of 248.11 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6a-dimethyl-4,6-dihydro-1aH-indeno[1,2-b]oxiren-4-ide;yttrium is sourced from PubChem (CID 59758697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).