5-methylidene-3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,7-trione

C11H10O5 — CID 90181079

IUPAC5-methylidene-3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,7-trione
SMILESC=C1OC(=O)C2CC3C(=O)OC(=O)C3CC12
InChIInChI=1S/C11H10O5/c1-4-5-2-7-8(11(14)16-10(7)13)3-6(5)9(12)15-4/h5-8H,1-3H2
InChIKeyPYCQRXNSPWWTHK-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.40
Rot. Bonds

About 5-methylidene-3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,7-trione

5-methylidene-3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,7-trione (PubChem CID 90181079) has the molecular formula C11H10O5 and a molecular weight of 222.20 g/mol. Its IUPAC name is 5-methylidene-3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,7-trione.

Molecular Properties

Compound Name5-methylidene-3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,7-trione
PubChem CID90181079
Molecular FormulaC11H10O5
Molecular Weight222.20 g/mol
Exact Mass222.05
IUPAC Name5-methylidene-3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,7-trione
SMILESC=C1OC(=O)C2CC3C(=O)OC(=O)C3CC12
InChIInChI=1S/C11H10O5/c1-4-5-2-7-8(11(14)16-10(7)13)3-6(5)9(12)15-4/h5-8H,1-3H2
InChIKeyPYCQRXNSPWWTHK-UHFFFAOYSA-N
XLogP0.40
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,7-trione?
The IUPAC name of 5-methylidene-3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,7-trione (CID 90181079) is 5-methylidene-3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,7-trione.
What is the SMILES notation for 5-methylidene-3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,7-trione?
The canonical SMILES for 5-methylidene-3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,7-trione is C=C1OC(=O)C2CC3C(=O)OC(=O)C3CC12.
What is the InChIKey of 5-methylidene-3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,7-trione?
The InChIKey is PYCQRXNSPWWTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O5/c1-4-5-2-7-8(11(14)16-10(7)13)3-6(5)9(12)15-4/h5-8H,1-3H2.
What are the key properties of 5-methylidene-3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,7-trione?
5-methylidene-3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,7-trione has a molecular weight of 222.20 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,7-trione is sourced from PubChem (CID 90181079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).