1,5-dimethoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one

C9H12O4 — CID 565921

IUPAC1,5-dimethoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one
SMILESCOC1=CC2C(OC)OC(=O)C2C1
InChIInChI=1S/C9H12O4/c1-11-5-3-6-7(4-5)9(12-2)13-8(6)10/h4,6-7,9H,3H2,1-2H3
InChIKeyUMQHNKMAUVXTSY-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.68
Rot. Bonds2

About 1,5-dimethoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one

1,5-dimethoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one (PubChem CID 565921) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1,5-dimethoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one.

Molecular Properties

Compound Name1,5-dimethoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one
PubChem CID565921
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name1,5-dimethoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one
SMILESCOC1=CC2C(OC)OC(=O)C2C1
InChIInChI=1S/C9H12O4/c1-11-5-3-6-7(4-5)9(12-2)13-8(6)10/h4,6-7,9H,3H2,1-2H3
InChIKeyUMQHNKMAUVXTSY-UHFFFAOYSA-N
XLogP0.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one?
The IUPAC name of 1,5-dimethoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one (CID 565921) is 1,5-dimethoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one.
What is the SMILES notation for 1,5-dimethoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one?
The canonical SMILES for 1,5-dimethoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one is COC1=CC2C(OC)OC(=O)C2C1.
What is the InChIKey of 1,5-dimethoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one?
The InChIKey is UMQHNKMAUVXTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-11-5-3-6-7(4-5)9(12-2)13-8(6)10/h4,6-7,9H,3H2,1-2H3.
What are the key properties of 1,5-dimethoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one?
1,5-dimethoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one has a molecular weight of 184.19 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one is sourced from PubChem (CID 565921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).