(6aR)-3-ethenoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

C9H10O3 — CID 135057281

IUPAC(6aR)-3-ethenoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESC=COC1OC[C@@H]2CC(=O)C=C12
InChIInChI=1S/C9H10O3/c1-2-11-9-8-4-7(10)3-6(8)5-12-9/h2,4,6,9H,1,3,5H2/t6-,9?/m0/s1
InChIKeyYLXOPTCHMSRKTD-AADKRJSRSA-N
MW166.18 g/mol
LogP1.02
Rot. Bonds2

About (6aR)-3-ethenoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

(6aR)-3-ethenoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (PubChem CID 135057281) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is (6aR)-3-ethenoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.

Molecular Properties

Compound Name(6aR)-3-ethenoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
PubChem CID135057281
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name(6aR)-3-ethenoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESC=COC1OC[C@@H]2CC(=O)C=C12
InChIInChI=1S/C9H10O3/c1-2-11-9-8-4-7(10)3-6(8)5-12-9/h2,4,6,9H,1,3,5H2/t6-,9?/m0/s1
InChIKeyYLXOPTCHMSRKTD-AADKRJSRSA-N
XLogP1.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1,3,3a,4-Tetrahydro-cyclopenta[c]furan-5-one
CID 10887896
(1S,7S,11R)-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-6-one
CID 138979579
(3R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 11459420
(3aR,7aR)-2-methoxy-3,3a,4,7a-tetrahydro-2H-1-benzofuran-5-one
CID 46201275
(6aR)-3-ethenoxy-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 135056855
(6aR)-3-ethenoxy-4-prop-2-enyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 135056856
(3R,6S,6aS)-3-[(E)-but-2-enoxy]-6-methyl-4-trimethylsilyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 11403259
3-Prop-2-enoxy-4-trimethylsilyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 60096059
(3E,3aR,6aR)-3-[(5-oxo-2H-furan-2-yl)oxymethylidene]-6,6a-dihydro-3aH-cyclopenta[b]furan-2-one
CID 90164671
(3E,3aR,6aR)-3-[[(2R)-5-oxo-2H-furan-2-yl]oxymethylidene]-6,6a-dihydro-3aH-cyclopenta[b]furan-2-one
CID 90167423
(3aR,6aR)-3-[(5-oxo-2H-furan-2-yl)oxymethylidene]-6,6a-dihydro-3aH-cyclopenta[b]furan-2-one
CID 123254501
6-(Diethoxymethyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 142664751

Frequently Asked Questions

What is the IUPAC name of (6aR)-3-ethenoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The IUPAC name of (6aR)-3-ethenoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (CID 135057281) is (6aR)-3-ethenoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.
What is the SMILES notation for (6aR)-3-ethenoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The canonical SMILES for (6aR)-3-ethenoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is C=COC1OC[C@@H]2CC(=O)C=C12.
What is the InChIKey of (6aR)-3-ethenoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The InChIKey is YLXOPTCHMSRKTD-AADKRJSRSA-N. The full InChI is InChI=1S/C9H10O3/c1-2-11-9-8-4-7(10)3-6(8)5-12-9/h2,4,6,9H,1,3,5H2/t6-,9?/m0/s1.
What are the key properties of (6aR)-3-ethenoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
(6aR)-3-ethenoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one has a molecular weight of 166.18 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-3-ethenoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is sourced from PubChem (CID 135057281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).