(5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl) acetate

C8H10O5 — CID 123405200

IUPAC(5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl) acetate
SMILESCC(=O)OC1CC2CC(=O)OC2O1
InChIInChI=1S/C8H10O5/c1-4(9)11-7-3-5-2-6(10)12-8(5)13-7/h5,7-8H,2-3H2,1H3
InChIKeyWPGYUHGUTAFFMS-UHFFFAOYSA-N
MW186.16 g/mol
LogP0.19
Rot. Bonds1

About (5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl) acetate

(5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl) acetate (PubChem CID 123405200) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is (5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl) acetate.

Molecular Properties

Compound Name(5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl) acetate
PubChem CID123405200
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name(5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl) acetate
SMILESCC(=O)OC1CC2CC(=O)OC2O1
InChIInChI=1S/C8H10O5/c1-4(9)11-7-3-5-2-6(10)12-8(5)13-7/h5,7-8H,2-3H2,1H3
InChIKeyWPGYUHGUTAFFMS-UHFFFAOYSA-N
XLogP0.19
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Furo(2,3-b)furan-2(3H)-one, tetrahydro-6a-methyl-
CID 85843
(3aS,6aR)-Tetrahydro-4-methoxyfuro(3,4-b)furan-2(3H)-one
CID 51358358
(3As,6ar)-tetrahydrofuro[2,3-b]furan-2(3h)-one
CID 11829446
Furo[2,3-b]furan-2(3H)-one, tetrahydro-, cis-
CID 11018883
(3AS,4S,6AR)-4-Methoxytetrahydrofuro(3,4-B)furan-2(3H)-one
CID 11600708
Furo[2,3-b]furan-2,5(3H,4H)-dione, dihydro-6a-methyl-
CID 289590
Hexahydrofuro[2,3-b]furan-2-one
CID 10964515
(3-Oxo-2,7-dioxabicyclo[3.2.1]octan-6-yl) acetate
CID 123816316
(5R)-8-ethoxy-2,7-dioxaspiro[4.4]nonan-3-one
CID 134841699
[(3aS,4R,6aR)-2-oxo-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-4-yl] formate
CID 162417594
ethyl 2-[(2R,3R)-2-ethoxyoxolan-3-yl]-2-fluoroacetate
CID 11550309
ethyl 2-[(2S,3R)-2-(2,2-dimethylpropoxy)oxolan-3-yl]-2-fluoroacetate
CID 11579798

Frequently Asked Questions

What is the IUPAC name of (5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl) acetate?
The IUPAC name of (5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl) acetate (CID 123405200) is (5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl) acetate.
What is the SMILES notation for (5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl) acetate?
The canonical SMILES for (5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl) acetate is CC(=O)OC1CC2CC(=O)OC2O1.
What is the InChIKey of (5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl) acetate?
The InChIKey is WPGYUHGUTAFFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5/c1-4(9)11-7-3-5-2-6(10)12-8(5)13-7/h5,7-8H,2-3H2,1H3.
What are the key properties of (5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl) acetate?
(5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl) acetate has a molecular weight of 186.16 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl) acetate is sourced from PubChem (CID 123405200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).