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

C15H20Br2O2 — CID 100960308

IUPAC(2R,3aS,5S,6aS)-5-[(E,1S)-1-bromohex-3-enyl]-2-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCC/C=C/C[C@H](Br)[C@@H]1C[C@@H]2O[C@@H](C=C=CBr)C[C@@H]2O1
InChIInChI=1S/C15H20Br2O2/c1-2-3-4-7-12(17)13-10-15-14(19-13)9-11(18-15)6-5-8-16/h3-4,6,8,11-15H,2,7,9-10H2,1H3/b4-3+/t5?,11-,12-,13-,14-,15-/m0/s1
InChIKeyMALGKLBGBZTMPV-GNWWKWHGSA-N
MW392.13 g/mol
LogP4.48
Rot. Bonds5

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

(2R,3aS,5S,6aS)-5-[(E,1S)-1-bromohex-3-enyl]-2-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 100960308) has the molecular formula C15H20Br2O2 and a molecular weight of 392.13 g/mol. Its IUPAC name is (2R,3aS,5S,6aS)-5-[(E,1S)-1-bromohex-3-enyl]-2-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(2R,3aS,5S,6aS)-5-[(E,1S)-1-bromohex-3-enyl]-2-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID100960308
Molecular FormulaC15H20Br2O2
Molecular Weight392.13 g/mol
Exact Mass389.98
IUPAC Name(2R,3aS,5S,6aS)-5-[(E,1S)-1-bromohex-3-enyl]-2-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCC/C=C/C[C@H](Br)[C@@H]1C[C@@H]2O[C@@H](C=C=CBr)C[C@@H]2O1
InChIInChI=1S/C15H20Br2O2/c1-2-3-4-7-12(17)13-10-15-14(19-13)9-11(18-15)6-5-8-16/h3-4,6,8,11-15H,2,7,9-10H2,1H3/b4-3+/t5?,11-,12-,13-,14-,15-/m0/s1
InChIKeyMALGKLBGBZTMPV-GNWWKWHGSA-N
XLogP4.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.13
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,3aS,5S,6aS)-5-[(E,1S)-1-bromohex-3-enyl]-2-(3-bromopropa-1,2-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

Related Compounds

(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
12-bromo-5-(3-bromopropa-1,2-dienyl)-9-ethyl-4,8,13-trioxatricyclo[8.2.1.03,7]tridecane
CID 74000128
2-(5-bromohepta-2,4-dienyl)-5-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 163109130
[(2R,3aR,5S,6aR)-5-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]methanol
CID 11086529
(2R,3aR,5R,6S,8Z,10aR)-6-bromo-2-(3-bromopropa-1,2-dienyl)-5-ethyl-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonine
CID 636552
(2R,3S,4aS,6R,10aS)-3-bromo-6-(3-bromopropa-1,2-dienyl)-2-ethyl-2,3,4,4a,6,7,10,10a-octahydropyrano[3,2-b]oxocine
CID 162875706
(2S,3aR,5R,6aR)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-carbaldehyde
CID 10383519
(2R,4S,5R,6aR,8S,9aR)-4-bromo-8-(3-bromopropa-1,2-dienyl)-2-(1-bromopropyl)-2,3,4,5,6,6a,7,8,9,9a-decahydrocyclopenta[b]oxocin-5-ol
CID 101380417
[(2S,3R,5R)-5-(3-bromopropa-1,2-dienyl)-2-[(2Z,5E)-octa-2,5-dienyl]oxolan-3-yl] acetate
CID 162942096
[5-(1-bromohex-3-enyl)-2-pent-2-en-4-ynyloxolan-3-yl] acetate
CID 73089078
(1R,5S,6R,9S,10S,12R)-6,9-dibromo-3-(3-bromopropa-1,2-dienyl)-12-chloro-5-methyl-4,13-dioxabicyclo[8.2.1]tridecane
CID 177466878
3-bromo-6-(3-bromopropa-1,2-dienyl)-8,9-dichloro-2-ethenyl-2,3,4,4a,6,7,8,9,10,10a-decahydropyrano[3,2-b]oxocine
CID 162877187

Frequently Asked Questions

What is the IUPAC name of (2R,3aS,5S,6aS)-5-[(E,1S)-1-bromohex-3-enyl]-2-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (2R,3aS,5S,6aS)-5-[(E,1S)-1-bromohex-3-enyl]-2-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 100960308) is (2R,3aS,5S,6aS)-5-[(E,1S)-1-bromohex-3-enyl]-2-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (2R,3aS,5S,6aS)-5-[(E,1S)-1-bromohex-3-enyl]-2-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (2R,3aS,5S,6aS)-5-[(E,1S)-1-bromohex-3-enyl]-2-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is CC/C=C/C[C@H](Br)[C@@H]1C[C@@H]2O[C@@H](C=C=CBr)C[C@@H]2O1.
What is the InChIKey of (2R,3aS,5S,6aS)-5-[(E,1S)-1-bromohex-3-enyl]-2-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is MALGKLBGBZTMPV-GNWWKWHGSA-N. The full InChI is InChI=1S/C15H20Br2O2/c1-2-3-4-7-12(17)13-10-15-14(19-13)9-11(18-15)6-5-8-16/h3-4,6,8,11-15H,2,7,9-10H2,1H3/b4-3+/t5?,11-,12-,13-,14-,15-/m0/s1.
What are the key properties of (2R,3aS,5S,6aS)-5-[(E,1S)-1-bromohex-3-enyl]-2-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(2R,3aS,5S,6aS)-5-[(E,1S)-1-bromohex-3-enyl]-2-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 392.13 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,5S,6aS)-5-[(E,1S)-1-bromohex-3-enyl]-2-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 100960308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).