2-(5-bromohepta-2,4-dienyl)-5-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C16H20Br2O2 — CID 163109130

IUPAC2-(5-bromohepta-2,4-dienyl)-5-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCCC(Br)=CC=CCC1CC2OC(C=C=CBr)CC2O1
InChIInChI=1S/C16H20Br2O2/c1-2-12(18)6-3-4-7-13-10-15-16(19-13)11-14(20-15)8-5-9-17/h3-4,6,8-9,13-16H,2,7,10-11H2,1H3
InChIKeyGURBJGFKZHKTEZ-UHFFFAOYSA-N
MW404.14 g/mol
LogP5.00
Rot. Bonds5

About 2-(5-bromohepta-2,4-dienyl)-5-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

2-(5-bromohepta-2,4-dienyl)-5-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 163109130) has the molecular formula C16H20Br2O2 and a molecular weight of 404.14 g/mol. Its IUPAC name is 2-(5-bromohepta-2,4-dienyl)-5-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name2-(5-bromohepta-2,4-dienyl)-5-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID163109130
Molecular FormulaC16H20Br2O2
Molecular Weight404.14 g/mol
Exact Mass401.98
IUPAC Name2-(5-bromohepta-2,4-dienyl)-5-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCCC(Br)=CC=CCC1CC2OC(C=C=CBr)CC2O1
InChIInChI=1S/C16H20Br2O2/c1-2-12(18)6-3-4-7-13-10-15-16(19-13)11-14(20-15)8-5-9-17/h3-4,6,8-9,13-16H,2,7,10-11H2,1H3
InChIKeyGURBJGFKZHKTEZ-UHFFFAOYSA-N
XLogP5.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.14
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-bromohepta-2,4-dienyl)-5-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan with MolForge

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Related Compounds

[(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,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
(2R,3S,5R)-5-(3-bromopropa-1,2-dienyl)-2-[(1S,2R)-1,6-dibromo-2-hydroxyocta-3,5-dienyl]oxolan-3-ol
CID 91306684
(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
12-bromo-5-(3-bromopropa-1,2-dienyl)-9-ethyl-4,8,13-trioxatricyclo[8.2.1.03,7]tridecane
CID 74000128
(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,3R,5R)-5-(3-bromopropa-1,2-dienyl)-2-[(2Z,5E)-octa-2,5-dienyl]oxolan-3-yl] acetate
CID 162942096
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
(2R,5R,7S)-5,7-dibromo-2-(3-bromopropa-1,2-dienyl)-8-ethyl-3,3a,5,6,7,8,8a,8b-octahydro-2H-furo[3,2-b][1]benzofuran-4a-ol
CID 88877404
(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
(1R,4R,6S,7S,8S,9S,11S)-8-bromo-3-(1-bromoethyl)-11-(3-bromopropa-1,2-dienyl)-2,10-dioxatricyclo[7.3.0.04,6]dodecan-7-ol
CID 162843750

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromohepta-2,4-dienyl)-5-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of 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) is 2-(5-bromohepta-2,4-dienyl)-5-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for 2-(5-bromohepta-2,4-dienyl)-5-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for 2-(5-bromohepta-2,4-dienyl)-5-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is CCC(Br)=CC=CCC1CC2OC(C=C=CBr)CC2O1.
What is the InChIKey of 2-(5-bromohepta-2,4-dienyl)-5-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is GURBJGFKZHKTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Br2O2/c1-2-12(18)6-3-4-7-13-10-15-16(19-13)11-14(20-15)8-5-9-17/h3-4,6,8-9,13-16H,2,7,10-11H2,1H3.
What are the key properties of 2-(5-bromohepta-2,4-dienyl)-5-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
2-(5-bromohepta-2,4-dienyl)-5-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 404.14 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromohepta-2,4-dienyl)-5-(3-bromopropa-1,2-dienyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 163109130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).