(3aR,6R)-2-methyl-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol

C8H12O3 — CID 89286343

IUPAC(3aR,6R)-2-methyl-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol
SMILESCC1C[C@@]2(O)C=C[C@@H](O)C2O1
InChIInChI=1S/C8H12O3/c1-5-4-8(10)3-2-6(9)7(8)11-5/h2-3,5-7,9-10H,4H2,1H3/t5?,6-,7?,8+/m1/s1
InChIKeyXYEDSNIEZPXCIR-ZPFXWGDGSA-N
MW156.18 g/mol
LogP-0.17
Rot. Bonds

About (3aR,6R)-2-methyl-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol

(3aR,6R)-2-methyl-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol (PubChem CID 89286343) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (3aR,6R)-2-methyl-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol.

Molecular Properties

Compound Name(3aR,6R)-2-methyl-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol
PubChem CID89286343
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(3aR,6R)-2-methyl-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol
SMILESCC1C[C@@]2(O)C=C[C@@H](O)C2O1
InChIInChI=1S/C8H12O3/c1-5-4-8(10)3-2-6(9)7(8)11-5/h2-3,5-7,9-10H,4H2,1H3/t5?,6-,7?,8+/m1/s1
InChIKeyXYEDSNIEZPXCIR-ZPFXWGDGSA-N
XLogP-0.17
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3aR,6R)-2-methyl-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol?
The IUPAC name of (3aR,6R)-2-methyl-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol (CID 89286343) is (3aR,6R)-2-methyl-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol.
What is the SMILES notation for (3aR,6R)-2-methyl-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol?
The canonical SMILES for (3aR,6R)-2-methyl-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol is CC1C[C@@]2(O)C=C[C@@H](O)C2O1.
What is the InChIKey of (3aR,6R)-2-methyl-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol?
The InChIKey is XYEDSNIEZPXCIR-ZPFXWGDGSA-N. The full InChI is InChI=1S/C8H12O3/c1-5-4-8(10)3-2-6(9)7(8)11-5/h2-3,5-7,9-10H,4H2,1H3/t5?,6-,7?,8+/m1/s1.
What are the key properties of (3aR,6R)-2-methyl-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol?
(3aR,6R)-2-methyl-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol has a molecular weight of 156.18 g/mol, XLogP of -0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R)-2-methyl-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol is sourced from PubChem (CID 89286343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).