1-bromo-2,6,10-trimethylundeca-1,5,9-triene

C14H23Br — CID 86044295

IUPAC1-bromo-2,6,10-trimethylundeca-1,5,9-triene
SMILESCC(C)=CCCC(C)=CCCC(C)=CBr
InChIInChI=1S/C14H23Br/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h7,9,11H,5-6,8,10H2,1-4H3
InChIKeyFAIWJFNBHVNVRL-UHFFFAOYSA-N
MW271.24 g/mol
LogP5.76
Rot. Bonds6

About 1-bromo-2,6,10-trimethylundeca-1,5,9-triene

1-bromo-2,6,10-trimethylundeca-1,5,9-triene (PubChem CID 86044295) has the molecular formula C14H23Br and a molecular weight of 271.24 g/mol. Its IUPAC name is 1-bromo-2,6,10-trimethylundeca-1,5,9-triene.

Molecular Properties

Compound Name1-bromo-2,6,10-trimethylundeca-1,5,9-triene
PubChem CID86044295
Molecular FormulaC14H23Br
Molecular Weight271.24 g/mol
Exact Mass270.10
IUPAC Name1-bromo-2,6,10-trimethylundeca-1,5,9-triene
SMILESCC(C)=CCCC(C)=CCCC(C)=CBr
InChIInChI=1S/C14H23Br/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h7,9,11H,5-6,8,10H2,1-4H3
InChIKeyFAIWJFNBHVNVRL-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.24
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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
(2E,10E)-1-iodo-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 175339928
(6Z)-1-bromo-3,7,11-trimethyldodeca-2,6,10-triene
CID 88841659
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(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
(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,26E,30E,34E)-1-chloro-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaene
CID 13174780
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,6,10-trimethylundeca-1,5,9-triene?
The IUPAC name of 1-bromo-2,6,10-trimethylundeca-1,5,9-triene (CID 86044295) is 1-bromo-2,6,10-trimethylundeca-1,5,9-triene.
What is the SMILES notation for 1-bromo-2,6,10-trimethylundeca-1,5,9-triene?
The canonical SMILES for 1-bromo-2,6,10-trimethylundeca-1,5,9-triene is CC(C)=CCCC(C)=CCCC(C)=CBr.
What is the InChIKey of 1-bromo-2,6,10-trimethylundeca-1,5,9-triene?
The InChIKey is FAIWJFNBHVNVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23Br/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h7,9,11H,5-6,8,10H2,1-4H3.
What are the key properties of 1-bromo-2,6,10-trimethylundeca-1,5,9-triene?
1-bromo-2,6,10-trimethylundeca-1,5,9-triene has a molecular weight of 271.24 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,6,10-trimethylundeca-1,5,9-triene is sourced from PubChem (CID 86044295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).