(6aR)-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one

C7H8O2 — CID 163949494

IUPAC(6aR)-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one
SMILESO=C1CC2C=CC[C@H]2O1
InChIInChI=1S/C7H8O2/c8-7-4-5-2-1-3-6(5)9-7/h1-2,5-6H,3-4H2/t5?,6-/m1/s1
InChIKeyRYBPGUMSFWGGLP-PRJDIBJQSA-N
MW124.14 g/mol
LogP0.88
Rot. Bonds

About (6aR)-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one

(6aR)-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one (PubChem CID 163949494) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is (6aR)-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(6aR)-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one
PubChem CID163949494
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name(6aR)-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one
SMILESO=C1CC2C=CC[C@H]2O1
InChIInChI=1S/C7H8O2/c8-7-4-5-2-1-3-6(5)9-7/h1-2,5-6H,3-4H2/t5?,6-/m1/s1
InChIKeyRYBPGUMSFWGGLP-PRJDIBJQSA-N
XLogP0.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3aR,6aS)-3,3a,6,6a-tetrahydro-2H-cyclopenta(b)furan-2-one
CID 643405
Trans-eldanolide
CID 11008321
3,3a,6,6a-Tetrahydro-2H-cyclopenta(b)furan-2-one
CID 11073412
2H-Cyclopenta[b]furan-2-one, 3,3a,6,6a-tetrahydro-
CID 4582877
(4R,5S)-4-Methyl-5-(3-methylbut-2-en-1-yl)dihydrofuran-2(3H)-one
CID 13367847
(6Z)-3,4-trans-9-oxo-3-methyldodec-6-en-4-olide
CID 101883054
(6Z)-3,4-trans-11-oxo-3-methyldodec-6-en-4-olide
CID 101883057
(6Z,9S)-3,4-trans-9-hydroxy-3-methyldodec-6-en-4-olide
CID 139583303
(6Z,11S)-3,4-trans-11-hydroxy-3-methyldodec-6-en-4-olide
CID 139588287
3a,4,7,7a-Tetrahydro-1-benzofuran-2(3h)-one
CID 277477
(3aS,6aR)-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one
CID 338681
3-Oxabicyclo[3.3.0]oct-6-en-2-one
CID 4371112

Frequently Asked Questions

What is the IUPAC name of (6aR)-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one?
The IUPAC name of (6aR)-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one (CID 163949494) is (6aR)-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (6aR)-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (6aR)-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one is O=C1CC2C=CC[C@H]2O1.
What is the InChIKey of (6aR)-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one?
The InChIKey is RYBPGUMSFWGGLP-PRJDIBJQSA-N. The full InChI is InChI=1S/C7H8O2/c8-7-4-5-2-1-3-6(5)9-7/h1-2,5-6H,3-4H2/t5?,6-/m1/s1.
What are the key properties of (6aR)-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one?
(6aR)-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one has a molecular weight of 124.14 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 163949494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).