6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene

C10H10O — CID 12522307

IUPAC6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene
SMILESCC12Cc3ccccc3C1O2
InChIInChI=1S/C10H10O/c1-10-6-7-4-2-3-5-8(7)9(10)11-10/h2-5,9H,6H2,1H3
InChIKeyNERZWZQNSRXDMH-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.07
Rot. Bonds

About 6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene

6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene (PubChem CID 12522307) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene.

Molecular Properties

Compound Name6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene
PubChem CID12522307
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene
SMILESCC12Cc3ccccc3C1O2
InChIInChI=1S/C10H10O/c1-10-6-7-4-2-3-5-8(7)9(10)11-10/h2-5,9H,6H2,1H3
InChIKeyNERZWZQNSRXDMH-UHFFFAOYSA-N
XLogP2.07
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene?
The IUPAC name of 6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene (CID 12522307) is 6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene.
What is the SMILES notation for 6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene?
The canonical SMILES for 6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene is CC12Cc3ccccc3C1O2.
What is the InChIKey of 6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene?
The InChIKey is NERZWZQNSRXDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c1-10-6-7-4-2-3-5-8(7)9(10)11-10/h2-5,9H,6H2,1H3.
What are the key properties of 6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene?
6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene has a molecular weight of 146.19 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene is sourced from PubChem (CID 12522307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).