(3R,3aR,6R,6aR)-3,6-dipropyl-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione

C12H18O4 — CID 134900618

IUPAC(3R,3aR,6R,6aR)-3,6-dipropyl-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione
SMILESCCC[C@H]1C(=O)O[C@H]2[C@@H]1OC(=O)[C@@H]2CCC
InChIInChI=1S/C12H18O4/c1-3-5-7-9-10(16-11(7)13)8(6-4-2)12(14)15-9/h7-10H,3-6H2,1-2H3/t7-,8-,9-,10-/m1/s1
InChIKeyMYFHPKFTNQZVFP-ZYUZMQFOSA-N
MW226.27 g/mol
LogP1.67
Rot. Bonds4

About (3R,3aR,6R,6aR)-3,6-dipropyl-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione

(3R,3aR,6R,6aR)-3,6-dipropyl-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione (PubChem CID 134900618) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is (3R,3aR,6R,6aR)-3,6-dipropyl-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione.

Molecular Properties

Compound Name(3R,3aR,6R,6aR)-3,6-dipropyl-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione
PubChem CID134900618
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name(3R,3aR,6R,6aR)-3,6-dipropyl-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione
SMILESCCC[C@H]1C(=O)O[C@H]2[C@@H]1OC(=O)[C@@H]2CCC
InChIInChI=1S/C12H18O4/c1-3-5-7-9-10(16-11(7)13)8(6-4-2)12(14)15-9/h7-10H,3-6H2,1-2H3/t7-,8-,9-,10-/m1/s1
InChIKeyMYFHPKFTNQZVFP-ZYUZMQFOSA-N
XLogP1.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R,3aR,6R,6aR)-3,6-dipropyl-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione with MolForge

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Related Compounds

6-hexyl-3-methyl-(3S,3aS,6R,6aR)-perhydrofuro[3,4-b]furan-2,4-dione
CID 101515910
(3R,3aR,6R,6aS)-6-butyl-3-methyl-3,3a,6,6a-tetrahydrofuro[2,3-c]furan-2,4-dione
CID 101821092
[(2S,3S,4S)-4-hexadecyl-2-methyl-5-oxooxolan-3-yl] acetate
CID 14188593
[(2S,3S,4S)-2-methyl-5-oxo-4-tetradecyloxolan-3-yl] acetate
CID 14188595
Antifungal macrolide
CID 139583904
methyl (2R,3S,5S)-2-(3-methoxy-3-oxopropyl)-5-propyloxolane-3-carboxylate
CID 137640565
Nonactic acid-trihomononactic acid dilactone
CID 11177351
Trihomononactic acid lactone
CID 11206901
(3S,4S,7R,9R,12S,13S,16R,18R)-3,9,12-Trimethyl-18-ethyl-4,7:13,16-diepoxy-1,10-dioxacyclooctadecane-2,11-dione
CID 11246039
(1R,2S,5S,6R,7S,10R,11S,14S,15R,16S)-2,6,11,15-tetramethyl-5,14-dipropyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione
CID 11751362
[(2R,3S,4R)-2-methyl-5-oxo-4-tetradecyloxolan-3-yl] acetate
CID 21773790
(3aR,5R,6aR)-5,6a-diethyl-5-[(2S,4S)-4-ethyl-2-methyloctyl]-3a,6-dihydro-3H-furo[3,2-b]furan-2-one
CID 49782636

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6R,6aR)-3,6-dipropyl-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione?
The IUPAC name of (3R,3aR,6R,6aR)-3,6-dipropyl-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione (CID 134900618) is (3R,3aR,6R,6aR)-3,6-dipropyl-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione.
What is the SMILES notation for (3R,3aR,6R,6aR)-3,6-dipropyl-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione?
The canonical SMILES for (3R,3aR,6R,6aR)-3,6-dipropyl-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione is CCC[C@H]1C(=O)O[C@H]2[C@@H]1OC(=O)[C@@H]2CCC.
What is the InChIKey of (3R,3aR,6R,6aR)-3,6-dipropyl-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione?
The InChIKey is MYFHPKFTNQZVFP-ZYUZMQFOSA-N. The full InChI is InChI=1S/C12H18O4/c1-3-5-7-9-10(16-11(7)13)8(6-4-2)12(14)15-9/h7-10H,3-6H2,1-2H3/t7-,8-,9-,10-/m1/s1.
What are the key properties of (3R,3aR,6R,6aR)-3,6-dipropyl-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione?
(3R,3aR,6R,6aR)-3,6-dipropyl-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione has a molecular weight of 226.27 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6R,6aR)-3,6-dipropyl-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione is sourced from PubChem (CID 134900618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).