(1aS,7bS)-6-methoxy-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene

C12H14O3 — CID 13222925

IUPAC(1aS,7bS)-6-methoxy-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene
SMILESCOc1ccc2c(c1)[C@@H]1O[C@@H]1C(C)(C)O2
InChIInChI=1S/C12H14O3/c1-12(2)11-10(14-11)8-6-7(13-3)4-5-9(8)15-12/h4-6,10-11H,1-3H3/t10-,11-/m0/s1
InChIKeyDWQLEXJSAGRCJG-QWRGUYRKSA-N
MW206.24 g/mol
LogP2.31
Rot. Bonds1

About (1aS,7bS)-6-methoxy-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene

(1aS,7bS)-6-methoxy-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene (PubChem CID 13222925) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (1aS,7bS)-6-methoxy-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene.

Molecular Properties

Compound Name(1aS,7bS)-6-methoxy-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene
PubChem CID13222925
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(1aS,7bS)-6-methoxy-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene
SMILESCOc1ccc2c(c1)[C@@H]1O[C@@H]1C(C)(C)O2
InChIInChI=1S/C12H14O3/c1-12(2)11-10(14-11)8-6-7(13-3)4-5-9(8)15-12/h4-6,10-11H,1-3H3/t10-,11-/m0/s1
InChIKeyDWQLEXJSAGRCJG-QWRGUYRKSA-N
XLogP2.31
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.31
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

2,2-dimethyl-6-(trifluoromethoxy)-1a,7b-dihydrooxireno[2,3-c]chromene
CID 14857401
(1aS,7bR)-2,2-dimethyl-6-propoxy-1a,7b-dihydrooxireno[2,3-c]chromene
CID 129385470
1-[(1aS,7bR)-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-6-yl]ethanone
CID 129383166
[(1aS,7bS)-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-5-yl] acetate
CID 11481711
(2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-5-yl) acetate
CID 72978618
(1aS,7bS)-6-benzyl-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene
CID 10825653
(1aS,7bS)-6-methoxy-2,2-dimethyl-1a,7b-dihydronaphtho[1,2-b]oxiren-3-one
CID 129383938
N-[(1aR,7bS)-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-6-yl]acetamide
CID 129383167
(2R,3R,4aR,10bR)-9-methoxy-5,5-dimethyl-2-propyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-3-carboxylic acid
CID 110147318
(3S,4R)-6-methoxy-2,2-dimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromen-3-ol;hydrochloride
CID 13223035
3-(dipropylamino)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 82187449
6-methoxy-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-ol
CID 114715296

Frequently Asked Questions

What is the IUPAC name of (1aS,7bS)-6-methoxy-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene?
The IUPAC name of (1aS,7bS)-6-methoxy-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene (CID 13222925) is (1aS,7bS)-6-methoxy-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene.
What is the SMILES notation for (1aS,7bS)-6-methoxy-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene?
The canonical SMILES for (1aS,7bS)-6-methoxy-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene is COc1ccc2c(c1)[C@@H]1O[C@@H]1C(C)(C)O2.
What is the InChIKey of (1aS,7bS)-6-methoxy-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene?
The InChIKey is DWQLEXJSAGRCJG-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H14O3/c1-12(2)11-10(14-11)8-6-7(13-3)4-5-9(8)15-12/h4-6,10-11H,1-3H3/t10-,11-/m0/s1.
What are the key properties of (1aS,7bS)-6-methoxy-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene?
(1aS,7bS)-6-methoxy-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene has a molecular weight of 206.24 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1aS,7bS)-6-methoxy-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene is sourced from PubChem (CID 13222925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).