methyl (3aR,6aR)-5-methoxy-2-oxo-3a,6a-dihydro-3H-furo[2,3-b]furan-4-carboxylate

C9H10O6 — CID 57407493

IUPACmethyl (3aR,6aR)-5-methoxy-2-oxo-3a,6a-dihydro-3H-furo[2,3-b]furan-4-carboxylate
SMILESCOC(=O)C1=C(OC)O[C@@H]2OC(=O)C[C@H]12
InChIInChI=1S/C9H10O6/c1-12-7(11)6-4-3-5(10)14-8(4)15-9(6)13-2/h4,8H,3H2,1-2H3/t4-,8+/m1/s1
InChIKeyBAXSBTCUGQKDLT-VHWMUFPASA-N
MW214.17 g/mol
LogP-0.06
Rot. Bonds2

About methyl (3aR,6aR)-5-methoxy-2-oxo-3a,6a-dihydro-3H-furo[2,3-b]furan-4-carboxylate

methyl (3aR,6aR)-5-methoxy-2-oxo-3a,6a-dihydro-3H-furo[2,3-b]furan-4-carboxylate (PubChem CID 57407493) has the molecular formula C9H10O6 and a molecular weight of 214.17 g/mol. Its IUPAC name is methyl (3aR,6aR)-5-methoxy-2-oxo-3a,6a-dihydro-3H-furo[2,3-b]furan-4-carboxylate.

Molecular Properties

Compound Namemethyl (3aR,6aR)-5-methoxy-2-oxo-3a,6a-dihydro-3H-furo[2,3-b]furan-4-carboxylate
PubChem CID57407493
Molecular FormulaC9H10O6
Molecular Weight214.17 g/mol
Exact Mass214.05
IUPAC Namemethyl (3aR,6aR)-5-methoxy-2-oxo-3a,6a-dihydro-3H-furo[2,3-b]furan-4-carboxylate
SMILESCOC(=O)C1=C(OC)O[C@@H]2OC(=O)C[C@H]12
InChIInChI=1S/C9H10O6/c1-12-7(11)6-4-3-5(10)14-8(4)15-9(6)13-2/h4,8H,3H2,1-2H3/t4-,8+/m1/s1
InChIKeyBAXSBTCUGQKDLT-VHWMUFPASA-N
XLogP-0.06
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (3aR,6aR)-5-methoxy-2-oxo-3a,6a-dihydro-3H-furo[2,3-b]furan-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Methyl 5-methyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate
CID 342660
ethyl (3aS,6aR)-5-methyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate
CID 11735750
ethyl (3aS,6aR)-5,6a-dimethyl-3,3a-dihydro-2H-furo[2,3-b]furan-4-carboxylate
CID 15175280
ethyl (3aS,6aS)-2,6a-dimethyl-5-oxo-3a,4-dihydrofuro[2,3-b]furan-3-carboxylate
CID 15175283
methyl (3aR,6aS)-5-methyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate
CID 92148499
methyl (3aR,6aR)-5-methyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate
CID 92148500
methyl (3aS,6aS)-5-methyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate
CID 92148501
methyl (3aS,6aR)-5-methyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate
CID 92148502
Methyl 7-methoxy-2-methyl-4,5,5a,8a-tetrahydrofuro[2,3-d][1,3]dioxepine-6-carboxylate
CID 101055312
ethyl (3aR,6aS)-5-methyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate
CID 102007560
(3aR,6aS)-4-methylidene-3a,6a-dihydro-3H-furo[2,3-b]furan-2,5-dione
CID 102162800

Frequently Asked Questions

What is the IUPAC name of methyl (3aR,6aR)-5-methoxy-2-oxo-3a,6a-dihydro-3H-furo[2,3-b]furan-4-carboxylate?
The IUPAC name of methyl (3aR,6aR)-5-methoxy-2-oxo-3a,6a-dihydro-3H-furo[2,3-b]furan-4-carboxylate (CID 57407493) is methyl (3aR,6aR)-5-methoxy-2-oxo-3a,6a-dihydro-3H-furo[2,3-b]furan-4-carboxylate.
What is the SMILES notation for methyl (3aR,6aR)-5-methoxy-2-oxo-3a,6a-dihydro-3H-furo[2,3-b]furan-4-carboxylate?
The canonical SMILES for methyl (3aR,6aR)-5-methoxy-2-oxo-3a,6a-dihydro-3H-furo[2,3-b]furan-4-carboxylate is COC(=O)C1=C(OC)O[C@@H]2OC(=O)C[C@H]12.
What is the InChIKey of methyl (3aR,6aR)-5-methoxy-2-oxo-3a,6a-dihydro-3H-furo[2,3-b]furan-4-carboxylate?
The InChIKey is BAXSBTCUGQKDLT-VHWMUFPASA-N. The full InChI is InChI=1S/C9H10O6/c1-12-7(11)6-4-3-5(10)14-8(4)15-9(6)13-2/h4,8H,3H2,1-2H3/t4-,8+/m1/s1.
What are the key properties of methyl (3aR,6aR)-5-methoxy-2-oxo-3a,6a-dihydro-3H-furo[2,3-b]furan-4-carboxylate?
methyl (3aR,6aR)-5-methoxy-2-oxo-3a,6a-dihydro-3H-furo[2,3-b]furan-4-carboxylate has a molecular weight of 214.17 g/mol, XLogP of -0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3aR,6aR)-5-methoxy-2-oxo-3a,6a-dihydro-3H-furo[2,3-b]furan-4-carboxylate is sourced from PubChem (CID 57407493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).