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

C10H16O3 — CID 10932103

IUPAC(2R,3aR,6aR)-2-butyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
SMILESCCCC[C@@H]1C[C@H]2OC(=O)C[C@H]2O1
InChIInChI=1S/C10H16O3/c1-2-3-4-7-5-8-9(12-7)6-10(11)13-8/h7-9H,2-6H2,1H3/t7-,8-,9-/m1/s1
InChIKeyJGFVINCBIYOEIW-IWSPIJDZSA-N
MW184.23 g/mol
LogP1.65
Rot. Bonds3

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

(2R,3aR,6aR)-2-butyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one (PubChem CID 10932103) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (2R,3aR,6aR)-2-butyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one.

Molecular Properties

Compound Name(2R,3aR,6aR)-2-butyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
PubChem CID10932103
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(2R,3aR,6aR)-2-butyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
SMILESCCCC[C@@H]1C[C@H]2OC(=O)C[C@H]2O1
InChIInChI=1S/C10H16O3/c1-2-3-4-7-5-8-9(12-7)6-10(11)13-8/h7-9H,2-6H2,1H3/t7-,8-,9-/m1/s1
InChIKeyJGFVINCBIYOEIW-IWSPIJDZSA-N
XLogP1.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-dodecyloxetan-2-one
CID 90110174
(5R)-5-butyloxolan-2-one
CID 7057971
(3aR,4S,5R,6aS)-4-butyl-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 59146605
(2R)-4-methyl-2-pentyl-2,3-dihydropyran-6-one
CID 129405234
(3S)-3-amino-5-butyloxolan-2-one
CID 23562305
(3S,5R)-5-butyl-3-chlorooxolan-2-one
CID 92951740
(3S,5S)-3-amino-5-butyloxolan-2-one
CID 45082203
4-butyl-1,3-dioxolan-2-one
CID 162009451
(4R)-4-ethyloxetan-2-one
CID 14325240
(2S,3aS,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 11188665
3,8-dibutyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
CID 13436243
4,8-diethyl-1,5-dioxocane-2,6-dione
CID 171057524

Frequently Asked Questions

What is the IUPAC name of (2R,3aR,6aR)-2-butyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The IUPAC name of (2R,3aR,6aR)-2-butyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one (CID 10932103) is (2R,3aR,6aR)-2-butyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one.
What is the SMILES notation for (2R,3aR,6aR)-2-butyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The canonical SMILES for (2R,3aR,6aR)-2-butyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one is CCCC[C@@H]1C[C@H]2OC(=O)C[C@H]2O1.
What is the InChIKey of (2R,3aR,6aR)-2-butyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The InChIKey is JGFVINCBIYOEIW-IWSPIJDZSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-3-4-7-5-8-9(12-7)6-10(11)13-8/h7-9H,2-6H2,1H3/t7-,8-,9-/m1/s1.
What are the key properties of (2R,3aR,6aR)-2-butyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
(2R,3aR,6aR)-2-butyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one has a molecular weight of 184.23 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,6aR)-2-butyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one is sourced from PubChem (CID 10932103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).