6,7-Dimethoxy-3,3a,8,8a-tetrahydro-1H-indeno(1,2-c)furan

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Basic information

CAS: 6286-86-8
Standard SMILES: COc1ccc2c(c1OC)CC1COCC21
InChIKey: OTJHAXYAYMWTPV-UHFFFAOYSA-N
Molecular formula: C13H16O3
Average molar mass: 220.26 g/mol
Monoisotopic mass: 220.10994437

Names & identifiers

Preferred name: 6,7-Dimethoxy-3,3a,8,8a-tetrahydro-1H-indeno(1,2-c)furan
IUPAC: 5,6-dimethoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan

Names & synonyms

6286-86-86,7-Dimethoxy-3,3a,8,8a-tetrahydro-1H-indeno(1,2-c)furanNSC10088NSC-100886,7-Dimethoxy-3,3a,8,8a-tetrahydro-1H-indeno[1,2-c]furan5,6-dimethoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furanNSC 10088BXX93P28AQDTXSID209785951H-Indeno[1,2-c]furan, 3,3a,8,8a-tetrahydro-6,7-dimethoxy-3,3a,8,8a-Tetrahydro-6,7-dimethoxy-1H-indeno[1,2-c]furan

Database identifiers

CAS: 6286-86-8
PubChem CID: 222972
DTXSID: DTXSID20978595
UNII: BXX93P28AQ

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 27.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 256

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Compound notes

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