(3aS,5S,6aS)-5-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one

C8H12O3 — CID 11084119

IUPAC(3aS,5S,6aS)-5-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
SMILESC[C@]12C[C@@H](O)C[C@H]1CC(=O)O2
InChIInChI=1S/C8H12O3/c1-8-4-6(9)2-5(8)3-7(10)11-8/h5-6,9H,2-4H2,1H3/t5-,6-,8-/m0/s1
InChIKeySGHZEEYHAXFKQU-HAFWLYHUSA-N
MW156.18 g/mol
LogP0.46
Rot. Bonds

About (3aS,5S,6aS)-5-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one

(3aS,5S,6aS)-5-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one (PubChem CID 11084119) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (3aS,5S,6aS)-5-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aS,5S,6aS)-5-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
PubChem CID11084119
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(3aS,5S,6aS)-5-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
SMILESC[C@]12C[C@@H](O)C[C@H]1CC(=O)O2
InChIInChI=1S/C8H12O3/c1-8-4-6(9)2-5(8)3-7(10)11-8/h5-6,9H,2-4H2,1H3/t5-,6-,8-/m0/s1
InChIKeySGHZEEYHAXFKQU-HAFWLYHUSA-N
XLogP0.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aS,5S,6aS)-5-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one with MolForge

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Related Compounds

(3aR,4S,5R,6aS)-(-)-Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one
CID 2724453
(3aS,4R,5S,6aR)-5-hydroxy-4,5-dimethyl-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 86294723
(3aR,4R,5S,6aS)-4-(hydroxymethyl)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 11298203
Pestalotiolactone A
CID 132496982
Myrotheciumone A
CID 139585840
Gelsemiol
CID 10375526
Pestalotiolactone C
CID 146683066
Pestalotiolactone D
CID 146683067
(3aR,4R,5R,6aS)-4-Fluoromethyl-hexahydro-5-methoxy-2H-cyclopentafuran-2-one
CID 25020820
5-Ethyl-5,6-dihydroxyhexahydro-2H-cyclopenta[b]furan-2-one
CID 395127
((3aR,4S,5R,6aS)-5-Acetoxy-2-oxohexahydro-2H-cyclopenta[b]furan-4-yl)methyl acetate
CID 363762
(+)-Corey lactone
CID 11084331

Frequently Asked Questions

What is the IUPAC name of (3aS,5S,6aS)-5-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
The IUPAC name of (3aS,5S,6aS)-5-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one (CID 11084119) is (3aS,5S,6aS)-5-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one.
What is the SMILES notation for (3aS,5S,6aS)-5-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
The canonical SMILES for (3aS,5S,6aS)-5-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one is C[C@]12C[C@@H](O)C[C@H]1CC(=O)O2.
What is the InChIKey of (3aS,5S,6aS)-5-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
The InChIKey is SGHZEEYHAXFKQU-HAFWLYHUSA-N. The full InChI is InChI=1S/C8H12O3/c1-8-4-6(9)2-5(8)3-7(10)11-8/h5-6,9H,2-4H2,1H3/t5-,6-,8-/m0/s1.
What are the key properties of (3aS,5S,6aS)-5-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
(3aS,5S,6aS)-5-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one has a molecular weight of 156.18 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5S,6aS)-5-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one is sourced from PubChem (CID 11084119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).