ethyl 2-[(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]acetate

C10H16O4 — CID 101165792

IUPACethyl 2-[(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]acetate
SMILESCCOC(=O)C[C@@H]1CO[C@@H]2OCC[C@H]12
InChIInChI=1S/C10H16O4/c1-2-12-9(11)5-7-6-14-10-8(7)3-4-13-10/h7-8,10H,2-6H2,1H3/t7-,8-,10+/m1/s1
InChIKeyKDFXZXHQMBYARK-MRTMQBJTSA-N
MW200.23 g/mol
LogP0.95
Rot. Bonds3

About ethyl 2-[(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]acetate

ethyl 2-[(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]acetate (PubChem CID 101165792) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl 2-[(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]acetate
PubChem CID101165792
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethyl 2-[(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]acetate
SMILESCCOC(=O)C[C@@H]1CO[C@@H]2OCC[C@H]12
InChIInChI=1S/C10H16O4/c1-2-12-9(11)5-7-6-14-10-8(7)3-4-13-10/h7-8,10H,2-6H2,1H3/t7-,8-,10+/m1/s1
InChIKeyKDFXZXHQMBYARK-MRTMQBJTSA-N
XLogP0.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]acetate with MolForge

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Related Compounds

6a-Ethyl-2,5-dioxohexahydrofuro[2,3-b]furan
CID 546194
(2R,3R,3aR,6aR)-2,3-dimethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 10964748
methyl 2-[(3aR,4R,7aS)-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran-4-yl]acetate
CID 24814758
ethyl (1S,3aR,6S,6aS)-1-methoxy-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-carboxylate
CID 25149470
[(2R,3R,3aR,6aR)-3-tert-butyl-5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl] acetate
CID 101536634
(5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl) acetate
CID 123405200
(3aR,3bR,6aS,7aR)-hexahydrodifuro[2,3-b:3',2'-d]furan-2(3H)-one
CID 168304957
(1S,2R,6R,8R)-5,7,9-trioxatricyclo[6.3.0.0^2,6^]undecan-4-one
CID 168304960
InChI=1/C7H10O3/c1-4-5-2-3-9-7(5)10-6(4)8/h4-5,7H,2-3H2,1H
CID 11073525
Dimethyl 2,4-dimethoxy-3-oxabicyclo[3.2.0]heptane-6,7-dicarboxylate
CID 91738051
3-(1,1-Diethoxybutan-2-yl)-4-methyloxolane-2,5-dione
CID 18716736
3-(1,1-Dimethoxy-2-methylbutan-2-yl)-4-methyloxolane-2,5-dione
CID 18716737

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]acetate?
The IUPAC name of ethyl 2-[(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]acetate (CID 101165792) is ethyl 2-[(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]acetate.
What is the SMILES notation for ethyl 2-[(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]acetate?
The canonical SMILES for ethyl 2-[(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]acetate is CCOC(=O)C[C@@H]1CO[C@@H]2OCC[C@H]12.
What is the InChIKey of ethyl 2-[(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]acetate?
The InChIKey is KDFXZXHQMBYARK-MRTMQBJTSA-N. The full InChI is InChI=1S/C10H16O4/c1-2-12-9(11)5-7-6-14-10-8(7)3-4-13-10/h7-8,10H,2-6H2,1H3/t7-,8-,10+/m1/s1.
What are the key properties of ethyl 2-[(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]acetate?
ethyl 2-[(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]acetate has a molecular weight of 200.23 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]acetate is sourced from PubChem (CID 101165792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).