(1aR,7aS)-1a,7a-dihydrooxireno[2,3-b][1,4]benzodioxine

C8H6O3 — CID 10534823

IUPAC(1aR,7aS)-1a,7a-dihydrooxireno[2,3-b][1,4]benzodioxine
SMILESc1ccc2c(c1)O[C@@H]1O[C@@H]1O2
InChIInChI=1S/C8H6O3/c1-2-4-6-5(3-1)9-7-8(10-6)11-7/h1-4,7-8H/t7-,8+
InChIKeyOJKDJNGFHSXCAT-OCAPTIKFSA-N
MW150.13 g/mol
LogP1.14
Rot. Bonds

About (1aR,7aS)-1a,7a-dihydrooxireno[2,3-b][1,4]benzodioxine

(1aR,7aS)-1a,7a-dihydrooxireno[2,3-b][1,4]benzodioxine (PubChem CID 10534823) has the molecular formula C8H6O3 and a molecular weight of 150.13 g/mol. Its IUPAC name is (1aR,7aS)-1a,7a-dihydrooxireno[2,3-b][1,4]benzodioxine.

Molecular Properties

Compound Name(1aR,7aS)-1a,7a-dihydrooxireno[2,3-b][1,4]benzodioxine
PubChem CID10534823
Molecular FormulaC8H6O3
Molecular Weight150.13 g/mol
Exact Mass150.03
IUPAC Name(1aR,7aS)-1a,7a-dihydrooxireno[2,3-b][1,4]benzodioxine
SMILESc1ccc2c(c1)O[C@@H]1O[C@@H]1O2
InChIInChI=1S/C8H6O3/c1-2-4-6-5(3-1)9-7-8(10-6)11-7/h1-4,7-8H/t7-,8+
InChIKeyOJKDJNGFHSXCAT-OCAPTIKFSA-N
XLogP1.14
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2,3-dihydro-1,4-benzodioxine-2,3-diol
CID 853425
2-(1,3-benzodioxol-2-yl)pyrrolidine
CID 144586760
N,N-dimethyl-1,3-benzodioxol-2-amine
CID 4271632
1,3-benzodioxol-2-ylboronic acid
CID 54099086
2,19-dioxa-9,12-diazapentacyclo[10.7.1.03,8.09,20.013,18]icosa-3,5,7,10,13,15,17-heptaene
CID 70850186
3-(1,3-benzodioxol-2-yl)piperidine
CID 115062724
2a,7a-dihydro-2H-oxeto[2,3-b][1]benzofuran
CID 19848130
2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine
CID 70472965
1-(1,3-benzodioxol-2-yl)piperazine
CID 67780354
(3aS,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b][1]benzofuran
CID 11298135
2-propyl-1,3-benzodioxole;hydrochloride
CID 172752983
2-(2,2-difluoroethyl)-1,3-benzodioxole
CID 84660391

Frequently Asked Questions

What is the IUPAC name of (1aR,7aS)-1a,7a-dihydrooxireno[2,3-b][1,4]benzodioxine?
The IUPAC name of (1aR,7aS)-1a,7a-dihydrooxireno[2,3-b][1,4]benzodioxine (CID 10534823) is (1aR,7aS)-1a,7a-dihydrooxireno[2,3-b][1,4]benzodioxine.
What is the SMILES notation for (1aR,7aS)-1a,7a-dihydrooxireno[2,3-b][1,4]benzodioxine?
The canonical SMILES for (1aR,7aS)-1a,7a-dihydrooxireno[2,3-b][1,4]benzodioxine is c1ccc2c(c1)O[C@@H]1O[C@@H]1O2.
What is the InChIKey of (1aR,7aS)-1a,7a-dihydrooxireno[2,3-b][1,4]benzodioxine?
The InChIKey is OJKDJNGFHSXCAT-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H6O3/c1-2-4-6-5(3-1)9-7-8(10-6)11-7/h1-4,7-8H/t7-,8+.
What are the key properties of (1aR,7aS)-1a,7a-dihydrooxireno[2,3-b][1,4]benzodioxine?
(1aR,7aS)-1a,7a-dihydrooxireno[2,3-b][1,4]benzodioxine has a molecular weight of 150.13 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1aR,7aS)-1a,7a-dihydrooxireno[2,3-b][1,4]benzodioxine is sourced from PubChem (CID 10534823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).