(3aR,6aS)-1-methoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one

C8H12O3 — CID 15933477

IUPAC(3aR,6aS)-1-methoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
SMILESCOC1OC(=O)[C@@H]2CCC[C@H]12
InChIInChI=1S/C8H12O3/c1-10-8-6-4-2-3-5(6)7(9)11-8/h5-6,8H,2-4H2,1H3/t5-,6+,8?/m1/s1
InChIKeyAHGRHQSPBPIIBO-RSHNMJPRSA-N
MW156.18 g/mol
LogP0.93
Rot. Bonds1

About (3aR,6aS)-1-methoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one

(3aR,6aS)-1-methoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one (PubChem CID 15933477) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (3aR,6aS)-1-methoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one.

Molecular Properties

Compound Name(3aR,6aS)-1-methoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
PubChem CID15933477
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(3aR,6aS)-1-methoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
SMILESCOC1OC(=O)[C@@H]2CCC[C@H]12
InChIInChI=1S/C8H12O3/c1-10-8-6-4-2-3-5(6)7(9)11-8/h5-6,8H,2-4H2,1H3/t5-,6+,8?/m1/s1
InChIKeyAHGRHQSPBPIIBO-RSHNMJPRSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aR,6aS)-1-methoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one with MolForge

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Related Compounds

(1S,5R)-3-Oxabicyclo[3.3.0]octane-2-one
CID 11007905
Hexahydro-1H-cyclopenta[c]furan-1-one
CID 12648864
cis-Hexahydro-cyclopenta[c]furan-1-one
CID 12648865
ethyl (1S,3aR,6S,6aS)-1-methoxy-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-carboxylate
CID 25149470
Ethyl 2-(1,3-dioxolan-2-yl)cyclopentane-1-carboxylate
CID 135037698
3-Oxabicyclo[3.3.0]octane-2,7-dione, 4-methoxy-, trans-
CID 543128
3-Oxabicyclo[3.3.0]octan-2-one, 4-methoxy-7-methylene-
CID 556374
3-Oxabicyclo[3.3.0]octan-2-one, 4-methoxy-6-methylene-, trans-
CID 556724
3-Oxabicyclo[3.3.0]octan-2-one, 4,7,7-tris(methoxy)-
CID 566262
(6aS)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 12648866
(3aR,6aR)-hexahydro-1H-cyclopenta[c]furan-1-one
CID 12648867
4,6-Dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 20681927

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-1-methoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The IUPAC name of (3aR,6aS)-1-methoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one (CID 15933477) is (3aR,6aS)-1-methoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one.
What is the SMILES notation for (3aR,6aS)-1-methoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The canonical SMILES for (3aR,6aS)-1-methoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one is COC1OC(=O)[C@@H]2CCC[C@H]12.
What is the InChIKey of (3aR,6aS)-1-methoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The InChIKey is AHGRHQSPBPIIBO-RSHNMJPRSA-N. The full InChI is InChI=1S/C8H12O3/c1-10-8-6-4-2-3-5(6)7(9)11-8/h5-6,8H,2-4H2,1H3/t5-,6+,8?/m1/s1.
What are the key properties of (3aR,6aS)-1-methoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
(3aR,6aS)-1-methoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one has a molecular weight of 156.18 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-1-methoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one is sourced from PubChem (CID 15933477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).