(2R,3aR,5S,6aR)-5-(3-bromopropa-1,2-dienyl)-2-[(1E,3E)-hexa-1,3-dienyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C15H19BrO2 — CID 11722962

IUPAC(2R,3aR,5S,6aR)-5-(3-bromopropa-1,2-dienyl)-2-[(1E,3E)-hexa-1,3-dienyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCC/C=C/C=C/[C@H]1C[C@H]2O[C@H](C=C=CBr)C[C@H]2O1
InChIInChI=1S/C15H19BrO2/c1-2-3-4-5-7-12-10-14-15(17-12)11-13(18-14)8-6-9-16/h3-5,7-9,12-15H,2,10-11H2,1H3/b4-3+,7-5+/t6?,12-,13+,14+,15+/m0/s1
InChIKeyQUYABHYIAYVLIC-GXAMOEALSA-N
MW311.22 g/mol
LogP3.89
Rot. Bonds4

About (2R,3aR,5S,6aR)-5-(3-bromopropa-1,2-dienyl)-2-[(1E,3E)-hexa-1,3-dienyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

(2R,3aR,5S,6aR)-5-(3-bromopropa-1,2-dienyl)-2-[(1E,3E)-hexa-1,3-dienyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 11722962) has the molecular formula C15H19BrO2 and a molecular weight of 311.22 g/mol. Its IUPAC name is (2R,3aR,5S,6aR)-5-(3-bromopropa-1,2-dienyl)-2-[(1E,3E)-hexa-1,3-dienyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(2R,3aR,5S,6aR)-5-(3-bromopropa-1,2-dienyl)-2-[(1E,3E)-hexa-1,3-dienyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID11722962
Molecular FormulaC15H19BrO2
Molecular Weight311.22 g/mol
Exact Mass310.06
IUPAC Name(2R,3aR,5S,6aR)-5-(3-bromopropa-1,2-dienyl)-2-[(1E,3E)-hexa-1,3-dienyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCC/C=C/C=C/[C@H]1C[C@H]2O[C@H](C=C=CBr)C[C@H]2O1
InChIInChI=1S/C15H19BrO2/c1-2-3-4-5-7-12-10-14-15(17-12)11-13(18-14)8-6-9-16/h3-5,7-9,12-15H,2,10-11H2,1H3/b4-3+,7-5+/t6?,12-,13+,14+,15+/m0/s1
InChIKeyQUYABHYIAYVLIC-GXAMOEALSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2R,3aR,5S,6aR)-5-(3-bromopropa-1,2-dienyl)-2-[(1E,3E)-hexa-1,3-dienyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3aR,5S,6aR)-5-(3-bromopropa-1,2-dienyl)-2-[(1E,3E)-hexa-1,3-dienyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (2R,3aR,5S,6aR)-5-(3-bromopropa-1,2-dienyl)-2-[(1E,3E)-hexa-1,3-dienyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 11722962) is (2R,3aR,5S,6aR)-5-(3-bromopropa-1,2-dienyl)-2-[(1E,3E)-hexa-1,3-dienyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (2R,3aR,5S,6aR)-5-(3-bromopropa-1,2-dienyl)-2-[(1E,3E)-hexa-1,3-dienyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (2R,3aR,5S,6aR)-5-(3-bromopropa-1,2-dienyl)-2-[(1E,3E)-hexa-1,3-dienyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is CC/C=C/C=C/[C@H]1C[C@H]2O[C@H](C=C=CBr)C[C@H]2O1.
What is the InChIKey of (2R,3aR,5S,6aR)-5-(3-bromopropa-1,2-dienyl)-2-[(1E,3E)-hexa-1,3-dienyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is QUYABHYIAYVLIC-GXAMOEALSA-N. The full InChI is InChI=1S/C15H19BrO2/c1-2-3-4-5-7-12-10-14-15(17-12)11-13(18-14)8-6-9-16/h3-5,7-9,12-15H,2,10-11H2,1H3/b4-3+,7-5+/t6?,12-,13+,14+,15+/m0/s1.
What are the key properties of (2R,3aR,5S,6aR)-5-(3-bromopropa-1,2-dienyl)-2-[(1E,3E)-hexa-1,3-dienyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(2R,3aR,5S,6aR)-5-(3-bromopropa-1,2-dienyl)-2-[(1E,3E)-hexa-1,3-dienyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 311.22 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,5S,6aR)-5-(3-bromopropa-1,2-dienyl)-2-[(1E,3E)-hexa-1,3-dienyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 11722962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).