methyl 5-methoxy-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-carboxylate

C10H14O5 — CID 567404

IUPACmethyl 5-methoxy-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-carboxylate
SMILESCOC(=O)C1C(OC)CC2C(=O)OCC21
InChIInChI=1S/C10H14O5/c1-13-7-3-5-6(4-15-9(5)11)8(7)10(12)14-2/h5-8H,3-4H2,1-2H3
InChIKeyPTWFAHMPSNXQRD-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.02
Rot. Bonds2

About methyl 5-methoxy-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-carboxylate

methyl 5-methoxy-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-carboxylate (PubChem CID 567404) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 5-methoxy-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-carboxylate
PubChem CID567404
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namemethyl 5-methoxy-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-carboxylate
SMILESCOC(=O)C1C(OC)CC2C(=O)OCC21
InChIInChI=1S/C10H14O5/c1-13-7-3-5-6(4-15-9(5)11)8(7)10(12)14-2/h5-8H,3-4H2,1-2H3
InChIKeyPTWFAHMPSNXQRD-UHFFFAOYSA-N
XLogP-0.02
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-carboxylate?
The IUPAC name of methyl 5-methoxy-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-carboxylate (CID 567404) is methyl 5-methoxy-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-carboxylate.
What is the SMILES notation for methyl 5-methoxy-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-carboxylate?
The canonical SMILES for methyl 5-methoxy-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-carboxylate is COC(=O)C1C(OC)CC2C(=O)OCC21.
What is the InChIKey of methyl 5-methoxy-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-carboxylate?
The InChIKey is PTWFAHMPSNXQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-13-7-3-5-6(4-15-9(5)11)8(7)10(12)14-2/h5-8H,3-4H2,1-2H3.
What are the key properties of methyl 5-methoxy-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-carboxylate?
methyl 5-methoxy-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-carboxylate has a molecular weight of 214.22 g/mol, XLogP of -0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-carboxylate is sourced from PubChem (CID 567404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).