ethyl (3aS,6aR)-5-methyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate

C10H14O4 — CID 11735750

IUPACethyl (3aS,6aR)-5-methyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate
SMILESCCOC(=O)C1=C(C)O[C@H]2OCC[C@@H]12
InChIInChI=1S/C10H14O4/c1-3-12-9(11)8-6(2)14-10-7(8)4-5-13-10/h7,10H,3-5H2,1-2H3/t7-,10+/m0/s1
InChIKeyFFOIVQJZVFFNRZ-OIBJUYFYSA-N
MW198.22 g/mol
LogP1.22
Rot. Bonds2

About ethyl (3aS,6aR)-5-methyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate

ethyl (3aS,6aR)-5-methyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate (PubChem CID 11735750) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is ethyl (3aS,6aR)-5-methyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate.

Molecular Properties

Compound Nameethyl (3aS,6aR)-5-methyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate
PubChem CID11735750
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Nameethyl (3aS,6aR)-5-methyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate
SMILESCCOC(=O)C1=C(C)O[C@H]2OCC[C@@H]12
InChIInChI=1S/C10H14O4/c1-3-12-9(11)8-6(2)14-10-7(8)4-5-13-10/h7,10H,3-5H2,1-2H3/t7-,10+/m0/s1
InChIKeyFFOIVQJZVFFNRZ-OIBJUYFYSA-N
XLogP1.22
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (3aS,6aR)-5-methyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate with MolForge

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Related Compounds

2H-Cyclopenta(b)furan-2-one, 3-((((2S)-2,5-dihydro-4-methyl-5-oxo-2-furanyl)oxy)methylene)-3,3a,4,6a-tetrahydro-, (3E,3aS,6aS)-
CID 3036801
Methyl 5-methyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate
CID 342660
Strigol deriv
CID 5358842
methyl 2-methyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran-3-carboxylate
CID 11159928
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
(3E,3aR,6aR)-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-4,6a-dihydro-3aH-cyclopenta[b]furan-2-one
CID 3036800
2-Oxabicyclo[3.3.0]octa-3,7-diene-4-carboxylic acid, 3-methyl-2(5H)-oxofuran-5-yl ester
CID 566116

Frequently Asked Questions

What is the IUPAC name of ethyl (3aS,6aR)-5-methyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate?
The IUPAC name of ethyl (3aS,6aR)-5-methyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate (CID 11735750) is ethyl (3aS,6aR)-5-methyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate.
What is the SMILES notation for ethyl (3aS,6aR)-5-methyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate?
The canonical SMILES for ethyl (3aS,6aR)-5-methyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate is CCOC(=O)C1=C(C)O[C@H]2OCC[C@@H]12.
What is the InChIKey of ethyl (3aS,6aR)-5-methyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate?
The InChIKey is FFOIVQJZVFFNRZ-OIBJUYFYSA-N. The full InChI is InChI=1S/C10H14O4/c1-3-12-9(11)8-6(2)14-10-7(8)4-5-13-10/h7,10H,3-5H2,1-2H3/t7-,10+/m0/s1.
What are the key properties of ethyl (3aS,6aR)-5-methyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate?
ethyl (3aS,6aR)-5-methyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 1.22, 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-methyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate is sourced from PubChem (CID 11735750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).