(2R,3R,3aR,6aR)-2,3-dimethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one

C8H12O3 — CID 10964748

IUPAC(2R,3R,3aR,6aR)-2,3-dimethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
SMILESC[C@@H]1[C@H]2CC(=O)O[C@H]2O[C@@H]1C
InChIInChI=1S/C8H12O3/c1-4-5(2)10-8-6(4)3-7(9)11-8/h4-6,8H,3H2,1-2H3/t4-,5+,6+,8+/m0/s1
InChIKeyHQBSEIZNRSJATL-LENIQADQSA-N
MW156.18 g/mol
LogP0.93
Rot. Bonds

About (2R,3R,3aR,6aR)-2,3-dimethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one

(2R,3R,3aR,6aR)-2,3-dimethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one (PubChem CID 10964748) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (2R,3R,3aR,6aR)-2,3-dimethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one.

Molecular Properties

Compound Name(2R,3R,3aR,6aR)-2,3-dimethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
PubChem CID10964748
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(2R,3R,3aR,6aR)-2,3-dimethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
SMILESC[C@@H]1[C@H]2CC(=O)O[C@H]2O[C@@H]1C
InChIInChI=1S/C8H12O3/c1-4-5(2)10-8-6(4)3-7(9)11-8/h4-6,8H,3H2,1-2H3/t4-,5+,6+,8+/m0/s1
InChIKeyHQBSEIZNRSJATL-LENIQADQSA-N
XLogP0.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R,3R,3aR,6aR)-2,3-dimethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one with MolForge

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Launch Full Analysis

Related Compounds

1,2:5,6-di-O-isopropylidene-3-C-ethoxycarbonylmethyl-alpha-D-allofuranose
CID 22806636
(2R,3aS,6aR)-2-decyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 10587987
(3aS,6aR)-2-hexyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 10822437
(3aS,6aR)-2-decyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 76312389
5-t-Butyltetrahydro-furo[2,3-b]furan-2(3h)-one
CID 12624888
(1S,2R,4R,6S)-5,7-dioxatricyclo[4.3.0.02,4]nonan-8-one
CID 23727297
[(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
(3aR,6aS)-5,5-diethyl-3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2-one
CID 134857963
InChI=1/C7H10O3/c1-4-5-2-3-9-7(5)10-6(4)8/h4-5,7H,2-3H2,1H
CID 11073525
ethyl (3aS,5R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-carboxylate
CID 56851489
2-decyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 85196334
ethyl (3aS,5S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-carboxylate
CID 101554964

Frequently Asked Questions

What is the IUPAC name of (2R,3R,3aR,6aR)-2,3-dimethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The IUPAC name of (2R,3R,3aR,6aR)-2,3-dimethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one (CID 10964748) is (2R,3R,3aR,6aR)-2,3-dimethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one.
What is the SMILES notation for (2R,3R,3aR,6aR)-2,3-dimethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The canonical SMILES for (2R,3R,3aR,6aR)-2,3-dimethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one is C[C@@H]1[C@H]2CC(=O)O[C@H]2O[C@@H]1C.
What is the InChIKey of (2R,3R,3aR,6aR)-2,3-dimethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The InChIKey is HQBSEIZNRSJATL-LENIQADQSA-N. The full InChI is InChI=1S/C8H12O3/c1-4-5(2)10-8-6(4)3-7(9)11-8/h4-6,8H,3H2,1-2H3/t4-,5+,6+,8+/m0/s1.
What are the key properties of (2R,3R,3aR,6aR)-2,3-dimethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
(2R,3R,3aR,6aR)-2,3-dimethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one has a molecular weight of 156.18 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,3aR,6aR)-2,3-dimethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one is sourced from PubChem (CID 10964748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).