(1E,3E,5E)-1-bromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene

C12H17Br — CID 58730070

IUPAC(1E,3E,5E)-1-bromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene
SMILESC=C(C)/C(C)=C/C=C(C)/C(C)=C/Br
InChIInChI=1S/C12H17Br/c1-9(2)10(3)6-7-11(4)12(5)8-13/h6-8H,1H2,2-5H3/b10-6+,11-7+,12-8+
InChIKeyFGQVYFWJDZDDSX-LRVPIKKLSA-N
MW241.17 g/mol
LogP4.75
Rot. Bonds3

About (1E,3E,5E)-1-bromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene

(1E,3E,5E)-1-bromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene (PubChem CID 58730070) has the molecular formula C12H17Br and a molecular weight of 241.17 g/mol. Its IUPAC name is (1E,3E,5E)-1-bromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name(1E,3E,5E)-1-bromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene
PubChem CID58730070
Molecular FormulaC12H17Br
Molecular Weight241.17 g/mol
Exact Mass240.05
IUPAC Name(1E,3E,5E)-1-bromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene
SMILESC=C(C)/C(C)=C/C=C(C)/C(C)=C/Br
InChIInChI=1S/C12H17Br/c1-9(2)10(3)6-7-11(4)12(5)8-13/h6-8H,1H2,2-5H3/b10-6+,11-7+,12-8+
InChIKeyFGQVYFWJDZDDSX-LRVPIKKLSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1E,3E,5E)-1-bromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine
CID 143363501
2,3-dimethylbuta-1,3-dienylboronic acid
CID 58956895
(2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine
CID 143116223
(2E,4E)-N-ethyl-5,6-dimethylhepta-2,4,6-trien-2-amine
CID 143694082
ethane;2-methylpropane;(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine
CID 143363500
(1Z)-2,3-dimethylbuta-1,3-dien-1-ol
CID 143116210
(3E,5Z,7E)-2,3-dimethyl-7-prop-1-en-2-ylnona-1,3,5,7-tetraene
CID 163402512
1-bromo-2-(113C)methyl(1,3-13C2)prop-1-ene
CID 76973307
2,4-dimethyl-3-methylidenepenta-1,4-diene
CID 12913413
(3E)-4,5-dimethylhexa-1,3,5-triene-2-thiol
CID 176921719
2,3,5-trimethylhexa-1,3-diene
CID 572950
3-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-2-yl]oxybutan-1-amine
CID 145277460

Frequently Asked Questions

What is the IUPAC name of (1E,3E,5E)-1-bromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene?
The IUPAC name of (1E,3E,5E)-1-bromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene (CID 58730070) is (1E,3E,5E)-1-bromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene.
What is the SMILES notation for (1E,3E,5E)-1-bromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene?
The canonical SMILES for (1E,3E,5E)-1-bromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene is C=C(C)/C(C)=C/C=C(C)/C(C)=C/Br.
What is the InChIKey of (1E,3E,5E)-1-bromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene?
The InChIKey is FGQVYFWJDZDDSX-LRVPIKKLSA-N. The full InChI is InChI=1S/C12H17Br/c1-9(2)10(3)6-7-11(4)12(5)8-13/h6-8H,1H2,2-5H3/b10-6+,11-7+,12-8+.
What are the key properties of (1E,3E,5E)-1-bromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene?
(1E,3E,5E)-1-bromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene has a molecular weight of 241.17 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5E)-1-bromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene is sourced from PubChem (CID 58730070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).