(6aS)-2-methoxy-2,3,3a,4,5,6a-hexahydrocyclopenta[b]furan-6-one

C8H12O3 — CID 138493908

IUPAC(6aS)-2-methoxy-2,3,3a,4,5,6a-hexahydrocyclopenta[b]furan-6-one
SMILESCOC1CC2CCC(=O)[C@H]2O1
InChIInChI=1S/C8H12O3/c1-10-7-4-5-2-3-6(9)8(5)11-7/h5,7-8H,2-4H2,1H3/t5?,7?,8-/m0/s1
InChIKeyFHZBGAPDCNNPBZ-PSZVVPIUSA-N
MW156.18 g/mol
LogP0.73
Rot. Bonds1

About (6aS)-2-methoxy-2,3,3a,4,5,6a-hexahydrocyclopenta[b]furan-6-one

(6aS)-2-methoxy-2,3,3a,4,5,6a-hexahydrocyclopenta[b]furan-6-one (PubChem CID 138493908) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (6aS)-2-methoxy-2,3,3a,4,5,6a-hexahydrocyclopenta[b]furan-6-one.

Molecular Properties

Compound Name(6aS)-2-methoxy-2,3,3a,4,5,6a-hexahydrocyclopenta[b]furan-6-one
PubChem CID138493908
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(6aS)-2-methoxy-2,3,3a,4,5,6a-hexahydrocyclopenta[b]furan-6-one
SMILESCOC1CC2CCC(=O)[C@H]2O1
InChIInChI=1S/C8H12O3/c1-10-7-4-5-2-3-6(9)8(5)11-7/h5,7-8H,2-4H2,1H3/t5?,7?,8-/m0/s1
InChIKeyFHZBGAPDCNNPBZ-PSZVVPIUSA-N
XLogP0.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6aS)-2-methoxy-2,3,3a,4,5,6a-hexahydrocyclopenta[b]furan-6-one?
The IUPAC name of (6aS)-2-methoxy-2,3,3a,4,5,6a-hexahydrocyclopenta[b]furan-6-one (CID 138493908) is (6aS)-2-methoxy-2,3,3a,4,5,6a-hexahydrocyclopenta[b]furan-6-one.
What is the SMILES notation for (6aS)-2-methoxy-2,3,3a,4,5,6a-hexahydrocyclopenta[b]furan-6-one?
The canonical SMILES for (6aS)-2-methoxy-2,3,3a,4,5,6a-hexahydrocyclopenta[b]furan-6-one is COC1CC2CCC(=O)[C@H]2O1.
What is the InChIKey of (6aS)-2-methoxy-2,3,3a,4,5,6a-hexahydrocyclopenta[b]furan-6-one?
The InChIKey is FHZBGAPDCNNPBZ-PSZVVPIUSA-N. The full InChI is InChI=1S/C8H12O3/c1-10-7-4-5-2-3-6(9)8(5)11-7/h5,7-8H,2-4H2,1H3/t5?,7?,8-/m0/s1.
What are the key properties of (6aS)-2-methoxy-2,3,3a,4,5,6a-hexahydrocyclopenta[b]furan-6-one?
(6aS)-2-methoxy-2,3,3a,4,5,6a-hexahydrocyclopenta[b]furan-6-one has a molecular weight of 156.18 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS)-2-methoxy-2,3,3a,4,5,6a-hexahydrocyclopenta[b]furan-6-one is sourced from PubChem (CID 138493908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).