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

C8H12O3 — CID 146346369

IUPAC(3aR,6S,6aS)-6-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
SMILESC[C@]12OC(=O)C[C@H]1CC[C@@H]2O
InChIInChI=1S/C8H12O3/c1-8-5(2-3-6(8)9)4-7(10)11-8/h5-6,9H,2-4H2,1H3/t5-,6+,8+/m1/s1
InChIKeyHQMRCIGBAXSBEP-CHKWXVPMSA-N
MW156.18 g/mol
LogP0.46
Rot. Bonds

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

(3aR,6S,6aS)-6-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one (PubChem CID 146346369) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (3aR,6S,6aS)-6-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aR,6S,6aS)-6-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
PubChem CID146346369
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(3aR,6S,6aS)-6-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
SMILESC[C@]12OC(=O)C[C@H]1CC[C@@H]2O
InChIInChI=1S/C8H12O3/c1-8-5(2-3-6(8)9)4-7(10)11-8/h5-6,9H,2-4H2,1H3/t5-,6+,8+/m1/s1
InChIKeyHQMRCIGBAXSBEP-CHKWXVPMSA-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 (3aR,6S,6aS)-6-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6S,6aS)-6-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
The IUPAC name of (3aR,6S,6aS)-6-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one (CID 146346369) is (3aR,6S,6aS)-6-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one.
What is the SMILES notation for (3aR,6S,6aS)-6-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
The canonical SMILES for (3aR,6S,6aS)-6-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one is C[C@]12OC(=O)C[C@H]1CC[C@@H]2O.
What is the InChIKey of (3aR,6S,6aS)-6-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
The InChIKey is HQMRCIGBAXSBEP-CHKWXVPMSA-N. The full InChI is InChI=1S/C8H12O3/c1-8-5(2-3-6(8)9)4-7(10)11-8/h5-6,9H,2-4H2,1H3/t5-,6+,8+/m1/s1.
What are the key properties of (3aR,6S,6aS)-6-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
(3aR,6S,6aS)-6-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 (3aR,6S,6aS)-6-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one is sourced from PubChem (CID 146346369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).