bromo 5,9-dimethyldeca-4,8-dienoate

C12H19BrO2 — CID 54185288

IUPACbromo 5,9-dimethyldeca-4,8-dienoate
SMILESCC(C)=CCCC(C)=CCCC(=O)OBr
InChIInChI=1S/C12H19BrO2/c1-10(2)6-4-7-11(3)8-5-9-12(14)15-13/h6,8H,4-5,7,9H2,1-3H3
InChIKeyPERGOYCAVDQAOY-UHFFFAOYSA-N
MW275.19 g/mol
LogP4.31
Rot. Bonds6

About bromo 5,9-dimethyldeca-4,8-dienoate

bromo 5,9-dimethyldeca-4,8-dienoate (PubChem CID 54185288) has the molecular formula C12H19BrO2 and a molecular weight of 275.19 g/mol. Its IUPAC name is bromo 5,9-dimethyldeca-4,8-dienoate.

Molecular Properties

Compound Namebromo 5,9-dimethyldeca-4,8-dienoate
PubChem CID54185288
Molecular FormulaC12H19BrO2
Molecular Weight275.19 g/mol
Exact Mass274.06
IUPAC Namebromo 5,9-dimethyldeca-4,8-dienoate
SMILESCC(C)=CCCC(C)=CCCC(=O)OBr
InChIInChI=1S/C12H19BrO2/c1-10(2)6-4-7-11(3)8-5-9-12(14)15-13/h6,8H,4-5,7,9H2,1-3H3
InChIKeyPERGOYCAVDQAOY-UHFFFAOYSA-N
XLogP4.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2E,6Z,10E,14Z,18Z,22E,26E,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] (4Z)-5,9-dimethyldeca-4,8-dienoate
CID 24837329
ethyl (4Z,8Z,12Z,16Z,20Z,24Z,28Z,32Z,36Z,40Z,44Z,48E,52E)-5,9,13,17,21,25,29,33,37,41,45,49,53,57-tetradecamethyloctapentaconta-4,8,12,16,20,24,28,32,36,40,44,48,52,56-tetradecaenoate
CID 11491628
alumane;[(2E)-3,7-dimethylocta-2,6-dienyl] (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate
CID 173458280
5,9,13-trimethyltetradeca-4,8,12-trienoyl chloride
CID 54440908
[(2E)-3,7-dimethylocta-2,6-dienyl] 5,9,13-trimethyltetradeca-4,8,12-trieneperoxoate
CID 173263974
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenamide
CID 173416553

Frequently Asked Questions

What is the IUPAC name of bromo 5,9-dimethyldeca-4,8-dienoate?
The IUPAC name of bromo 5,9-dimethyldeca-4,8-dienoate (CID 54185288) is bromo 5,9-dimethyldeca-4,8-dienoate.
What is the SMILES notation for bromo 5,9-dimethyldeca-4,8-dienoate?
The canonical SMILES for bromo 5,9-dimethyldeca-4,8-dienoate is CC(C)=CCCC(C)=CCCC(=O)OBr.
What is the InChIKey of bromo 5,9-dimethyldeca-4,8-dienoate?
The InChIKey is PERGOYCAVDQAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrO2/c1-10(2)6-4-7-11(3)8-5-9-12(14)15-13/h6,8H,4-5,7,9H2,1-3H3.
What are the key properties of bromo 5,9-dimethyldeca-4,8-dienoate?
bromo 5,9-dimethyldeca-4,8-dienoate has a molecular weight of 275.19 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo 5,9-dimethyldeca-4,8-dienoate is sourced from PubChem (CID 54185288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).