methyl (3aS,6aS)-5-(2-methoxy-2-oxoethyl)-3a,6a-dihydrofuro[3,2-b]furan-6-carboxylate

C11H12O6 — CID 101395708

IUPACmethyl (3aS,6aS)-5-(2-methoxy-2-oxoethyl)-3a,6a-dihydrofuro[3,2-b]furan-6-carboxylate
SMILESCOC(=O)CC1=C(C(=O)OC)[C@@H]2OC=C[C@@H]2O1
InChIInChI=1S/C11H12O6/c1-14-8(12)5-7-9(11(13)15-2)10-6(17-7)3-4-16-10/h3-4,6,10H,5H2,1-2H3/t6-,10+/m0/s1
InChIKeyWXOPVOARBNLLAX-QUBYGPBYSA-N
MW240.21 g/mol
LogP0.29
Rot. Bonds3

About methyl (3aS,6aS)-5-(2-methoxy-2-oxoethyl)-3a,6a-dihydrofuro[3,2-b]furan-6-carboxylate

methyl (3aS,6aS)-5-(2-methoxy-2-oxoethyl)-3a,6a-dihydrofuro[3,2-b]furan-6-carboxylate (PubChem CID 101395708) has the molecular formula C11H12O6 and a molecular weight of 240.21 g/mol. Its IUPAC name is methyl (3aS,6aS)-5-(2-methoxy-2-oxoethyl)-3a,6a-dihydrofuro[3,2-b]furan-6-carboxylate.

Molecular Properties

Compound Namemethyl (3aS,6aS)-5-(2-methoxy-2-oxoethyl)-3a,6a-dihydrofuro[3,2-b]furan-6-carboxylate
PubChem CID101395708
Molecular FormulaC11H12O6
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Namemethyl (3aS,6aS)-5-(2-methoxy-2-oxoethyl)-3a,6a-dihydrofuro[3,2-b]furan-6-carboxylate
SMILESCOC(=O)CC1=C(C(=O)OC)[C@@H]2OC=C[C@@H]2O1
InChIInChI=1S/C11H12O6/c1-14-8(12)5-7-9(11(13)15-2)10-6(17-7)3-4-16-10/h3-4,6,10H,5H2,1-2H3/t6-,10+/m0/s1
InChIKeyWXOPVOARBNLLAX-QUBYGPBYSA-N
XLogP0.29
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (3aS,6aS)-5-(2-methoxy-2-oxoethyl)-3a,6a-dihydrofuro[3,2-b]furan-6-carboxylate with MolForge

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Related Compounds

Methyl 2-ethenyl-5-(2-methoxy-2-oxoethyl)-2,3-dihydrofuran-4-carboxylate
CID 14956101
methyl 2-(3-methoxy-5-oxo-2H-furan-2-yl)acetate
CID 15263494
3-Furancarboxylic acid, 5-ethenyl-4,5-dihydro-2-methyl-, methyl ester
CID 11829832
Ethyl 5-ethenyl-2-methyl-4,5-dihydrofuran-3-carboxylate
CID 12573427
Methyl 5-but-3-enyl-2-ethenyl-2,3-dihydrofuran-4-carboxylate
CID 102157244
methyl (3aR,6aR)-2-but-3-enyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate
CID 102157245
(3As,6as)-2,5-dimethyl-3a,6a-dihydro-furo[3,2-b]furan-3,6-dicarboxylic acid dimethyl ester
CID 129828042
(3As,6as)-2,5-dimethyl-3a,6a-dihydro-furo[3,2-b]furan-3,6-dicarboxylic acid diethyl ester
CID 129828077
methyl 5-methyl-2-[(E)-3-oxobut-1-enyl]-2,3-dihydrofuran-4-carboxylate
CID 134861102
Ethyl 2-ethenyl-5-prop-2-enyl-2,3-dihydrofuran-4-carboxylate
CID 134861157
methyl (3aS,6aS)-2-butyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate
CID 134900064
methyl (3aS,6aS)-2-but-3-enyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate
CID 134900065

Frequently Asked Questions

What is the IUPAC name of methyl (3aS,6aS)-5-(2-methoxy-2-oxoethyl)-3a,6a-dihydrofuro[3,2-b]furan-6-carboxylate?
The IUPAC name of methyl (3aS,6aS)-5-(2-methoxy-2-oxoethyl)-3a,6a-dihydrofuro[3,2-b]furan-6-carboxylate (CID 101395708) is methyl (3aS,6aS)-5-(2-methoxy-2-oxoethyl)-3a,6a-dihydrofuro[3,2-b]furan-6-carboxylate.
What is the SMILES notation for methyl (3aS,6aS)-5-(2-methoxy-2-oxoethyl)-3a,6a-dihydrofuro[3,2-b]furan-6-carboxylate?
The canonical SMILES for methyl (3aS,6aS)-5-(2-methoxy-2-oxoethyl)-3a,6a-dihydrofuro[3,2-b]furan-6-carboxylate is COC(=O)CC1=C(C(=O)OC)[C@@H]2OC=C[C@@H]2O1.
What is the InChIKey of methyl (3aS,6aS)-5-(2-methoxy-2-oxoethyl)-3a,6a-dihydrofuro[3,2-b]furan-6-carboxylate?
The InChIKey is WXOPVOARBNLLAX-QUBYGPBYSA-N. The full InChI is InChI=1S/C11H12O6/c1-14-8(12)5-7-9(11(13)15-2)10-6(17-7)3-4-16-10/h3-4,6,10H,5H2,1-2H3/t6-,10+/m0/s1.
What are the key properties of methyl (3aS,6aS)-5-(2-methoxy-2-oxoethyl)-3a,6a-dihydrofuro[3,2-b]furan-6-carboxylate?
methyl (3aS,6aS)-5-(2-methoxy-2-oxoethyl)-3a,6a-dihydrofuro[3,2-b]furan-6-carboxylate has a molecular weight of 240.21 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3aS,6aS)-5-(2-methoxy-2-oxoethyl)-3a,6a-dihydrofuro[3,2-b]furan-6-carboxylate is sourced from PubChem (CID 101395708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).