2-(dimethoxymethyl)-2-methyl-6-nitro-1a,7b-dihydrooxireno[2,3-c]chromene

C13H15NO6 — CID 18351946

IUPAC2-(dimethoxymethyl)-2-methyl-6-nitro-1a,7b-dihydrooxireno[2,3-c]chromene
SMILESCOC(OC)C1(C)Oc2ccc([N+](=O)[O-])cc2C2OC21
InChIInChI=1S/C13H15NO6/c1-13(12(17-2)18-3)11-10(19-11)8-6-7(14(15)16)4-5-9(8)20-13/h4-6,10-12H,1-3H3
InChIKeyIUCVZCYPEDRIRJ-UHFFFAOYSA-N
MW281.26 g/mol
LogP1.80
Rot. Bonds4

About 2-(dimethoxymethyl)-2-methyl-6-nitro-1a,7b-dihydrooxireno[2,3-c]chromene

2-(dimethoxymethyl)-2-methyl-6-nitro-1a,7b-dihydrooxireno[2,3-c]chromene (PubChem CID 18351946) has the molecular formula C13H15NO6 and a molecular weight of 281.26 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-2-methyl-6-nitro-1a,7b-dihydrooxireno[2,3-c]chromene.

Molecular Properties

Compound Name2-(dimethoxymethyl)-2-methyl-6-nitro-1a,7b-dihydrooxireno[2,3-c]chromene
PubChem CID18351946
Molecular FormulaC13H15NO6
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC Name2-(dimethoxymethyl)-2-methyl-6-nitro-1a,7b-dihydrooxireno[2,3-c]chromene
SMILESCOC(OC)C1(C)Oc2ccc([N+](=O)[O-])cc2C2OC21
InChIInChI=1S/C13H15NO6/c1-13(12(17-2)18-3)11-10(19-11)8-6-7(14(15)16)4-5-9(8)20-13/h4-6,10-12H,1-3H3
InChIKeyIUCVZCYPEDRIRJ-UHFFFAOYSA-N
XLogP1.80
TPSA83.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1aR,2R,7bR)-2-(diethoxymethyl)-2-methyl-6-nitro-1a,7b-dihydrooxireno[2,3-c]chromene
CID 87740235
(1aS,2R,7bS)-2-methyl-6-nitro-2-propan-2-yl-1a,7b-dihydrooxireno[2,3-c]chromene
CID 11673226
(1aR,2R,7bR)-2-(methoxymethyl)-2-methyl-6-nitro-1a,7b-dihydrooxireno[2,3-c]chromene
CID 87740902
4-amino-2-(dimethoxymethyl)-2-methyl-6-nitro-3,4-dihydrochromen-3-ol
CID 18351891
(1aR,7bS)-6-nitrospiro[1a,7b-dihydrooxireno[2,3-c]chromene-2,1'-cyclohexane]
CID 129405569
2,2-dibutyl-6-nitro-1a,7b-dihydrooxireno[2,3-c]chromene
CID 19982682
(2R,10R,11R)-10-(dimethoxymethyl)-10-methyl-5-nitro-9,12-dioxa-1-azapentacyclo[12.8.0.02,11.03,8.017,22]docosa-3(8),4,6,17,19,21-hexaen-13-one
CID 10225250
6,6-dimethyl-3-nitro-1a,6a-dihydroindeno[1,2-b]oxirene
CID 14896382
(2R,3R,4S)-2-(dimethoxymethyl)-4-(2-hydroxy-5-methoxyanilino)-2-methyl-6-nitro-3,4-dihydrochromen-3-ol
CID 69220917
(2R,3R,4S)-4-(5-bromo-2-hydroxyanilino)-2-(dimethoxymethyl)-2-methyl-6-nitro-3,4-dihydrochromen-3-ol
CID 69224820
(2S,3S,4R)-2-(dimethoxymethyl)-2-methyl-6-nitro-4-[N-(2H-tetrazol-5-ylmethyl)anilino]-3,4-dihydrochromen-3-ol
CID 10310593
[1-[(2S,3S,4R)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]indol-2-yl] hydrogen carbonate
CID 68567876

Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-2-methyl-6-nitro-1a,7b-dihydrooxireno[2,3-c]chromene?
The IUPAC name of 2-(dimethoxymethyl)-2-methyl-6-nitro-1a,7b-dihydrooxireno[2,3-c]chromene (CID 18351946) is 2-(dimethoxymethyl)-2-methyl-6-nitro-1a,7b-dihydrooxireno[2,3-c]chromene.
What is the SMILES notation for 2-(dimethoxymethyl)-2-methyl-6-nitro-1a,7b-dihydrooxireno[2,3-c]chromene?
The canonical SMILES for 2-(dimethoxymethyl)-2-methyl-6-nitro-1a,7b-dihydrooxireno[2,3-c]chromene is COC(OC)C1(C)Oc2ccc([N+](=O)[O-])cc2C2OC21.
What is the InChIKey of 2-(dimethoxymethyl)-2-methyl-6-nitro-1a,7b-dihydrooxireno[2,3-c]chromene?
The InChIKey is IUCVZCYPEDRIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO6/c1-13(12(17-2)18-3)11-10(19-11)8-6-7(14(15)16)4-5-9(8)20-13/h4-6,10-12H,1-3H3.
What are the key properties of 2-(dimethoxymethyl)-2-methyl-6-nitro-1a,7b-dihydrooxireno[2,3-c]chromene?
2-(dimethoxymethyl)-2-methyl-6-nitro-1a,7b-dihydrooxireno[2,3-c]chromene has a molecular weight of 281.26 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-2-methyl-6-nitro-1a,7b-dihydrooxireno[2,3-c]chromene is sourced from PubChem (CID 18351946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).