(3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-3H-cyclopenta[b]furan-2,6-dione

C10H12O4 — CID 11127180

IUPAC(3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-3H-cyclopenta[b]furan-2,6-dione
SMILESCC1=C(C)[C@@]2(O)CC(=O)O[C@@]2(C)C1=O
InChIInChI=1S/C10H12O4/c1-5-6(2)10(13)4-7(11)14-9(10,3)8(5)12/h13H,4H2,1-3H3/t9-,10-/m0/s1
InChIKeyODJMLXOETJUTPY-UWVGGRQHSA-N
MW196.20 g/mol
LogP0.34
Rot. Bonds

About (3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-3H-cyclopenta[b]furan-2,6-dione

(3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-3H-cyclopenta[b]furan-2,6-dione (PubChem CID 11127180) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is (3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-3H-cyclopenta[b]furan-2,6-dione.

Molecular Properties

Compound Name(3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-3H-cyclopenta[b]furan-2,6-dione
PubChem CID11127180
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-3H-cyclopenta[b]furan-2,6-dione
SMILESCC1=C(C)[C@@]2(O)CC(=O)O[C@@]2(C)C1=O
InChIInChI=1S/C10H12O4/c1-5-6(2)10(13)4-7(11)14-9(10,3)8(5)12/h13H,4H2,1-3H3/t9-,10-/m0/s1
InChIKeyODJMLXOETJUTPY-UWVGGRQHSA-N
XLogP0.34
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-3H-cyclopenta[b]furan-2,6-dione?
The IUPAC name of (3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-3H-cyclopenta[b]furan-2,6-dione (CID 11127180) is (3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-3H-cyclopenta[b]furan-2,6-dione.
What is the SMILES notation for (3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-3H-cyclopenta[b]furan-2,6-dione?
The canonical SMILES for (3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-3H-cyclopenta[b]furan-2,6-dione is CC1=C(C)[C@@]2(O)CC(=O)O[C@@]2(C)C1=O.
What is the InChIKey of (3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-3H-cyclopenta[b]furan-2,6-dione?
The InChIKey is ODJMLXOETJUTPY-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H12O4/c1-5-6(2)10(13)4-7(11)14-9(10,3)8(5)12/h13H,4H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of (3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-3H-cyclopenta[b]furan-2,6-dione?
(3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-3H-cyclopenta[b]furan-2,6-dione has a molecular weight of 196.20 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-3H-cyclopenta[b]furan-2,6-dione is sourced from PubChem (CID 11127180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).