ethyl (3aS,6aR)-5,6a-dimethyl-3,3a-dihydro-2H-furo[2,3-b]furan-4-carboxylate

C11H16O4 — CID 15175280

IUPACethyl (3aS,6aR)-5,6a-dimethyl-3,3a-dihydro-2H-furo[2,3-b]furan-4-carboxylate
SMILESCCOC(=O)C1=C(C)O[C@@]2(C)OCC[C@@H]12
InChIInChI=1S/C11H16O4/c1-4-13-10(12)9-7(2)15-11(3)8(9)5-6-14-11/h8H,4-6H2,1-3H3/t8-,11+/m0/s1
InChIKeyWILZPXFOBWYRFF-GZMMTYOYSA-N
MW212.24 g/mol
LogP1.61
Rot. Bonds2

About ethyl (3aS,6aR)-5,6a-dimethyl-3,3a-dihydro-2H-furo[2,3-b]furan-4-carboxylate

ethyl (3aS,6aR)-5,6a-dimethyl-3,3a-dihydro-2H-furo[2,3-b]furan-4-carboxylate (PubChem CID 15175280) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is ethyl (3aS,6aR)-5,6a-dimethyl-3,3a-dihydro-2H-furo[2,3-b]furan-4-carboxylate.

Molecular Properties

Compound Nameethyl (3aS,6aR)-5,6a-dimethyl-3,3a-dihydro-2H-furo[2,3-b]furan-4-carboxylate
PubChem CID15175280
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Nameethyl (3aS,6aR)-5,6a-dimethyl-3,3a-dihydro-2H-furo[2,3-b]furan-4-carboxylate
SMILESCCOC(=O)C1=C(C)O[C@@]2(C)OCC[C@@H]12
InChIInChI=1S/C11H16O4/c1-4-13-10(12)9-7(2)15-11(3)8(9)5-6-14-11/h8H,4-6H2,1-3H3/t8-,11+/m0/s1
InChIKeyWILZPXFOBWYRFF-GZMMTYOYSA-N
XLogP1.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (3aS,6aR)-5,6a-dimethyl-3,3a-dihydro-2H-furo[2,3-b]furan-4-carboxylate with MolForge

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Related Compounds

Methyl 5-methyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate
CID 342660
Ethyl 5-(trifluoromethyl)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate
CID 101100329
Ethyl 5-[chloro(difluoro)methyl]-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate
CID 101100330
methyl (3aR,6aR)-5-methoxy-2-oxo-3a,6a-dihydro-3H-furo[2,3-b]furan-4-carboxylate
CID 57407493
methyl (2R,4R)-2-ethoxy-4-ethyl-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate
CID 102506602
methyl (2R,4S)-2-ethoxy-4-ethyl-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate
CID 102506603
(4S,5S)-5-(2-methoxyethoxymethoxymethyl)-4-methyl-3-propan-2-ylideneoxolan-2-one
CID 146018103
ethyl 5-(4-ethoxy-4-oxobutyl)-2-propan-2-ylidene-3H-furan-4-carboxylate
CID 10891776
Dimethyl 1,3,4,6,8,8a-hexahydrofuro[3,4-e][2]benzofuran-4,5-dicarboxylate
CID 11380463
ethyl (3aS,6aR)-5-methyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate
CID 11735750
dimethyl (3aR,4R,6aR)-2,6a-dimethyl-5-oxo-3a,4-dihydrofuro[2,3-b]furan-3,4-dicarboxylate
CID 13123157
ethyl (3aR,4R,6aS)-4-methoxy-2-methyl-6-oxo-4,6a-dihydro-3aH-furo[3,4-b]furan-3-carboxylate
CID 13906078

Frequently Asked Questions

What is the IUPAC name of ethyl (3aS,6aR)-5,6a-dimethyl-3,3a-dihydro-2H-furo[2,3-b]furan-4-carboxylate?
The IUPAC name of ethyl (3aS,6aR)-5,6a-dimethyl-3,3a-dihydro-2H-furo[2,3-b]furan-4-carboxylate (CID 15175280) is ethyl (3aS,6aR)-5,6a-dimethyl-3,3a-dihydro-2H-furo[2,3-b]furan-4-carboxylate.
What is the SMILES notation for ethyl (3aS,6aR)-5,6a-dimethyl-3,3a-dihydro-2H-furo[2,3-b]furan-4-carboxylate?
The canonical SMILES for ethyl (3aS,6aR)-5,6a-dimethyl-3,3a-dihydro-2H-furo[2,3-b]furan-4-carboxylate is CCOC(=O)C1=C(C)O[C@@]2(C)OCC[C@@H]12.
What is the InChIKey of ethyl (3aS,6aR)-5,6a-dimethyl-3,3a-dihydro-2H-furo[2,3-b]furan-4-carboxylate?
The InChIKey is WILZPXFOBWYRFF-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-4-13-10(12)9-7(2)15-11(3)8(9)5-6-14-11/h8H,4-6H2,1-3H3/t8-,11+/m0/s1.
What are the key properties of ethyl (3aS,6aR)-5,6a-dimethyl-3,3a-dihydro-2H-furo[2,3-b]furan-4-carboxylate?
ethyl (3aS,6aR)-5,6a-dimethyl-3,3a-dihydro-2H-furo[2,3-b]furan-4-carboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3aS,6aR)-5,6a-dimethyl-3,3a-dihydro-2H-furo[2,3-b]furan-4-carboxylate is sourced from PubChem (CID 15175280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).