(8aR)-1a,2,4,4a,5,6,7,8-octahydrooxireno[2,3-d]isochromene

C9H14O2 — CID 87058026

IUPAC(8aR)-1a,2,4,4a,5,6,7,8-octahydrooxireno[2,3-d]isochromene
SMILESC1CC[C@]23OC2COCC3C1
InChIInChI=1S/C9H14O2/c1-2-4-9-7(3-1)5-10-6-8(9)11-9/h7-8H,1-6H2/t7?,8?,9-/m1/s1
InChIKeyOUNSOZXNKKNCCG-AMDVSUOASA-N
MW154.21 g/mol
LogP1.34
Rot. Bonds

About (8aR)-1a,2,4,4a,5,6,7,8-octahydrooxireno[2,3-d]isochromene

(8aR)-1a,2,4,4a,5,6,7,8-octahydrooxireno[2,3-d]isochromene (PubChem CID 87058026) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (8aR)-1a,2,4,4a,5,6,7,8-octahydrooxireno[2,3-d]isochromene.

Molecular Properties

Compound Name(8aR)-1a,2,4,4a,5,6,7,8-octahydrooxireno[2,3-d]isochromene
PubChem CID87058026
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(8aR)-1a,2,4,4a,5,6,7,8-octahydrooxireno[2,3-d]isochromene
SMILESC1CC[C@]23OC2COCC3C1
InChIInChI=1S/C9H14O2/c1-2-4-9-7(3-1)5-10-6-8(9)11-9/h7-8H,1-6H2/t7?,8?,9-/m1/s1
InChIKeyOUNSOZXNKKNCCG-AMDVSUOASA-N
XLogP1.34
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (8aR)-1a,2,4,4a,5,6,7,8-octahydrooxireno[2,3-d]isochromene?
The IUPAC name of (8aR)-1a,2,4,4a,5,6,7,8-octahydrooxireno[2,3-d]isochromene (CID 87058026) is (8aR)-1a,2,4,4a,5,6,7,8-octahydrooxireno[2,3-d]isochromene.
What is the SMILES notation for (8aR)-1a,2,4,4a,5,6,7,8-octahydrooxireno[2,3-d]isochromene?
The canonical SMILES for (8aR)-1a,2,4,4a,5,6,7,8-octahydrooxireno[2,3-d]isochromene is C1CC[C@]23OC2COCC3C1.
What is the InChIKey of (8aR)-1a,2,4,4a,5,6,7,8-octahydrooxireno[2,3-d]isochromene?
The InChIKey is OUNSOZXNKKNCCG-AMDVSUOASA-N. The full InChI is InChI=1S/C9H14O2/c1-2-4-9-7(3-1)5-10-6-8(9)11-9/h7-8H,1-6H2/t7?,8?,9-/m1/s1.
What are the key properties of (8aR)-1a,2,4,4a,5,6,7,8-octahydrooxireno[2,3-d]isochromene?
(8aR)-1a,2,4,4a,5,6,7,8-octahydrooxireno[2,3-d]isochromene has a molecular weight of 154.21 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-1a,2,4,4a,5,6,7,8-octahydrooxireno[2,3-d]isochromene is sourced from PubChem (CID 87058026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).