(6Z)-1-bromo-3,7,11-trimethyldodeca-2,6,10-triene

C15H25Br — CID 88841659

IUPAC(6Z)-1-bromo-3,7,11-trimethyldodeca-2,6,10-triene
SMILESCC(C)=CCC/C(C)=C\CCC(C)=CCBr
InChIInChI=1S/C15H25Br/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11H,5-6,8,10,12H2,1-4H3/b14-9-,15-11?
InChIKeyFOFMBFMTJFSEEY-QCTDRUGUSA-N
MW285.27 g/mol
LogP5.80
Rot. Bonds7

About (6Z)-1-bromo-3,7,11-trimethyldodeca-2,6,10-triene

(6Z)-1-bromo-3,7,11-trimethyldodeca-2,6,10-triene (PubChem CID 88841659) has the molecular formula C15H25Br and a molecular weight of 285.27 g/mol. Its IUPAC name is (6Z)-1-bromo-3,7,11-trimethyldodeca-2,6,10-triene.

Molecular Properties

Compound Name(6Z)-1-bromo-3,7,11-trimethyldodeca-2,6,10-triene
PubChem CID88841659
Molecular FormulaC15H25Br
Molecular Weight285.27 g/mol
Exact Mass284.11
IUPAC Name(6Z)-1-bromo-3,7,11-trimethyldodeca-2,6,10-triene
SMILESCC(C)=CCC/C(C)=C\CCC(C)=CCBr
InChIInChI=1S/C15H25Br/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11H,5-6,8,10,12H2,1-4H3/b14-9-,15-11?
InChIKeyFOFMBFMTJFSEEY-QCTDRUGUSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.27
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(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
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
CID 143275958
1-bromo-2,6,10-trimethylundeca-1,5,9-triene
CID 86044295
1-bromo-3,7,10,11-tetramethyldodeca-2,6,10-triene
CID 54124836
26-bromo-2,6,10,15,19,23-hexamethylhexacosa-2,6,10,14,18,22-hexaene
CID 162298741
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(2E,6Z)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
CID 10752589
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438

Frequently Asked Questions

What is the IUPAC name of (6Z)-1-bromo-3,7,11-trimethyldodeca-2,6,10-triene?
The IUPAC name of (6Z)-1-bromo-3,7,11-trimethyldodeca-2,6,10-triene (CID 88841659) is (6Z)-1-bromo-3,7,11-trimethyldodeca-2,6,10-triene.
What is the SMILES notation for (6Z)-1-bromo-3,7,11-trimethyldodeca-2,6,10-triene?
The canonical SMILES for (6Z)-1-bromo-3,7,11-trimethyldodeca-2,6,10-triene is CC(C)=CCC/C(C)=C\CCC(C)=CCBr.
What is the InChIKey of (6Z)-1-bromo-3,7,11-trimethyldodeca-2,6,10-triene?
The InChIKey is FOFMBFMTJFSEEY-QCTDRUGUSA-N. The full InChI is InChI=1S/C15H25Br/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11H,5-6,8,10,12H2,1-4H3/b14-9-,15-11?.
What are the key properties of (6Z)-1-bromo-3,7,11-trimethyldodeca-2,6,10-triene?
(6Z)-1-bromo-3,7,11-trimethyldodeca-2,6,10-triene has a molecular weight of 285.27 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-1-bromo-3,7,11-trimethyldodeca-2,6,10-triene is sourced from PubChem (CID 88841659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).