(3aS,6aR)-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione

C10H10O4 — CID 122592323

IUPAC(3aS,6aR)-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione
SMILESC=CC1OC(C=C)[C@@H]2C(=O)OC(=O)[C@H]12
InChIInChI=1S/C10H10O4/c1-3-5-7-8(6(4-2)13-5)10(12)14-9(7)11/h3-8H,1-2H2/t5?,6?,7-,8+
InChIKeyCOUXBZATXRFZMG-HYNHDVCUSA-N
MW194.19 g/mol
LogP0.44
Rot. Bonds2

About (3aS,6aR)-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione

(3aS,6aR)-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione (PubChem CID 122592323) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is (3aS,6aR)-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione.

Molecular Properties

Compound Name(3aS,6aR)-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione
PubChem CID122592323
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name(3aS,6aR)-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione
SMILESC=CC1OC(C=C)[C@@H]2C(=O)OC(=O)[C@H]12
InChIInChI=1S/C10H10O4/c1-3-5-7-8(6(4-2)13-5)10(12)14-9(7)11/h3-8H,1-2H2/t5?,6?,7-,8+
InChIKeyCOUXBZATXRFZMG-HYNHDVCUSA-N
XLogP0.44
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione?
The IUPAC name of (3aS,6aR)-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione (CID 122592323) is (3aS,6aR)-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione.
What is the SMILES notation for (3aS,6aR)-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione?
The canonical SMILES for (3aS,6aR)-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione is C=CC1OC(C=C)[C@@H]2C(=O)OC(=O)[C@H]12.
What is the InChIKey of (3aS,6aR)-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione?
The InChIKey is COUXBZATXRFZMG-HYNHDVCUSA-N. The full InChI is InChI=1S/C10H10O4/c1-3-5-7-8(6(4-2)13-5)10(12)14-9(7)11/h3-8H,1-2H2/t5?,6?,7-,8+.
What are the key properties of (3aS,6aR)-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione?
(3aS,6aR)-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione has a molecular weight of 194.19 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione is sourced from PubChem (CID 122592323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).