(3aR,6aS)-5,5-diethyl-3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2-one

C10H16O3 — CID 134857963

IUPAC(3aR,6aS)-5,5-diethyl-3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2-one
SMILESCCC1(CC)C[C@@H]2CC(=O)O[C@@H]2O1
InChIInChI=1S/C10H16O3/c1-3-10(4-2)6-7-5-8(11)12-9(7)13-10/h7,9H,3-6H2,1-2H3/t7-,9+/m0/s1
InChIKeyATCDCISERJUEQI-IONNQARKSA-N
MW184.23 g/mol
LogP1.85
Rot. Bonds2

About (3aR,6aS)-5,5-diethyl-3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2-one

(3aR,6aS)-5,5-diethyl-3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2-one (PubChem CID 134857963) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (3aR,6aS)-5,5-diethyl-3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2-one.

Molecular Properties

Compound Name(3aR,6aS)-5,5-diethyl-3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2-one
PubChem CID134857963
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(3aR,6aS)-5,5-diethyl-3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2-one
SMILESCCC1(CC)C[C@@H]2CC(=O)O[C@@H]2O1
InChIInChI=1S/C10H16O3/c1-3-10(4-2)6-7-5-8(11)12-9(7)13-10/h7,9H,3-6H2,1-2H3/t7-,9+/m0/s1
InChIKeyATCDCISERJUEQI-IONNQARKSA-N
XLogP1.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aR,6aS)-5,5-diethyl-3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2-one with MolForge

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Related Compounds

(2R,3aS,6aR)-2-cyclohexyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 10608517
(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
(3aR,6aS)-2-cyclohexyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 76308693
(3aS,6aR)-2-decyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 76312389
(2S,3aR,6aR)-2-cyclohexyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 76326812
(2R,3R,3aR,6aR)-2,3-dimethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 10964748
5-t-Butyltetrahydro-furo[2,3-b]furan-2(3h)-one
CID 12624888
3-Oxabicyclo[3.3.0]octan-2-one, 4,7,7-tris(methoxy)-
CID 566262
2-decyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 85196334
ethyl 6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-carboxylate
CID 75066740
2-Hydroxy-6a-(2-methoxypropan-2-yl)-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one
CID 163780099

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5,5-diethyl-3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2-one?
The IUPAC name of (3aR,6aS)-5,5-diethyl-3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2-one (CID 134857963) is (3aR,6aS)-5,5-diethyl-3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2-one.
What is the SMILES notation for (3aR,6aS)-5,5-diethyl-3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2-one?
The canonical SMILES for (3aR,6aS)-5,5-diethyl-3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2-one is CCC1(CC)C[C@@H]2CC(=O)O[C@@H]2O1.
What is the InChIKey of (3aR,6aS)-5,5-diethyl-3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2-one?
The InChIKey is ATCDCISERJUEQI-IONNQARKSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-10(4-2)6-7-5-8(11)12-9(7)13-10/h7,9H,3-6H2,1-2H3/t7-,9+/m0/s1.
What are the key properties of (3aR,6aS)-5,5-diethyl-3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2-one?
(3aR,6aS)-5,5-diethyl-3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2-one has a molecular weight of 184.23 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5,5-diethyl-3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2-one is sourced from PubChem (CID 134857963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).