7-bromo-2,6,10-trimethyldodeca-2,6,10-triene

C15H25Br — CID 123277818

IUPAC7-bromo-2,6,10-trimethyldodeca-2,6,10-triene
SMILESCC=C(C)CCC(Br)=C(C)CCC=C(C)C
InChIInChI=1S/C15H25Br/c1-6-13(4)10-11-15(16)14(5)9-7-8-12(2)3/h6,8H,7,9-11H2,1-5H3
InChIKeySTPOMPGSKUBCRU-UHFFFAOYSA-N
MW285.27 g/mol
LogP6.15
Rot. Bonds6

About 7-bromo-2,6,10-trimethyldodeca-2,6,10-triene

7-bromo-2,6,10-trimethyldodeca-2,6,10-triene (PubChem CID 123277818) has the molecular formula C15H25Br and a molecular weight of 285.27 g/mol. Its IUPAC name is 7-bromo-2,6,10-trimethyldodeca-2,6,10-triene.

Molecular Properties

Compound Name7-bromo-2,6,10-trimethyldodeca-2,6,10-triene
PubChem CID123277818
Molecular FormulaC15H25Br
Molecular Weight285.27 g/mol
Exact Mass284.11
IUPAC Name7-bromo-2,6,10-trimethyldodeca-2,6,10-triene
SMILESCC=C(C)CCC(Br)=C(C)CCC=C(C)C
InChIInChI=1S/C15H25Br/c1-6-13(4)10-11-15(16)14(5)9-7-8-12(2)3/h6,8H,7,9-11H2,1-5H3
InChIKeySTPOMPGSKUBCRU-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.27
LogP ≤ 56.15
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

(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
CID 143275958
dichlorozinc;(6E)-2,6-dimethylocta-2,6-diene
CID 174338717
(1E)-2,6-dimethylhepta-1,5-dien-1-ol
CID 12944525
2,10-dimethyldodeca-2,6,10-triene
CID 123930349
2-bromo-6-methylhepta-1,5-diene
CID 12000295
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(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
1-deuterio-3,7-dimethylocta-2,6-diene
CID 175725290
1-bromo-2,6,10-trimethylundeca-1,5,9-triene
CID 86044295

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,6,10-trimethyldodeca-2,6,10-triene?
The IUPAC name of 7-bromo-2,6,10-trimethyldodeca-2,6,10-triene (CID 123277818) is 7-bromo-2,6,10-trimethyldodeca-2,6,10-triene.
What is the SMILES notation for 7-bromo-2,6,10-trimethyldodeca-2,6,10-triene?
The canonical SMILES for 7-bromo-2,6,10-trimethyldodeca-2,6,10-triene is CC=C(C)CCC(Br)=C(C)CCC=C(C)C.
What is the InChIKey of 7-bromo-2,6,10-trimethyldodeca-2,6,10-triene?
The InChIKey is STPOMPGSKUBCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25Br/c1-6-13(4)10-11-15(16)14(5)9-7-8-12(2)3/h6,8H,7,9-11H2,1-5H3.
What are the key properties of 7-bromo-2,6,10-trimethyldodeca-2,6,10-triene?
7-bromo-2,6,10-trimethyldodeca-2,6,10-triene has a molecular weight of 285.27 g/mol, XLogP of 6.15, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,6,10-trimethyldodeca-2,6,10-triene is sourced from PubChem (CID 123277818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).