(3S,4E,7R)-1,1-dibromo-3,5,7-trimethyltrideca-1,4-diene

C16H28Br2 — CID 10883405

IUPAC(3S,4E,7R)-1,1-dibromo-3,5,7-trimethyltrideca-1,4-diene
SMILESCCCCCC[C@@H](C)C/C(C)=C/[C@H](C)C=C(Br)Br
InChIInChI=1S/C16H28Br2/c1-5-6-7-8-9-13(2)10-14(3)11-15(4)12-16(17)18/h11-13,15H,5-10H2,1-4H3/b14-11+/t13-,15+/m1/s1
InChIKeyUEDYWIYMJPSGLY-RFHWTAPTSA-N
MW380.21 g/mol
LogP7.20
Rot. Bonds9

About (3S,4E,7R)-1,1-dibromo-3,5,7-trimethyltrideca-1,4-diene

(3S,4E,7R)-1,1-dibromo-3,5,7-trimethyltrideca-1,4-diene (PubChem CID 10883405) has the molecular formula C16H28Br2 and a molecular weight of 380.21 g/mol. Its IUPAC name is (3S,4E,7R)-1,1-dibromo-3,5,7-trimethyltrideca-1,4-diene.

Molecular Properties

Compound Name(3S,4E,7R)-1,1-dibromo-3,5,7-trimethyltrideca-1,4-diene
PubChem CID10883405
Molecular FormulaC16H28Br2
Molecular Weight380.21 g/mol
Exact Mass378.06
IUPAC Name(3S,4E,7R)-1,1-dibromo-3,5,7-trimethyltrideca-1,4-diene
SMILESCCCCCC[C@@H](C)C/C(C)=C/[C@H](C)C=C(Br)Br
InChIInChI=1S/C16H28Br2/c1-5-6-7-8-9-13(2)10-14(3)11-15(4)12-16(17)18/h11-13,15H,5-10H2,1-4H3/b14-11+/t13-,15+/m1/s1
InChIKeyUEDYWIYMJPSGLY-RFHWTAPTSA-N
XLogP7.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.21
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3S,4E,7R)-1,1-dibromo-3,5,7-trimethyltrideca-1,4-diene 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

1,1-dibromo-3-methylnon-1-ene
CID 135202124
dibromozinc;9-methylnonadecane
CID 174952791
2,4-dimethylnon-1-ene
CID 55268908
(4R)-4-methylpentadec-1-en-2-ol
CID 122522386
(11R,17S)-11,17-dimethylhentriacontane
CID 11762375
12,22-dimethylhexatriacontane
CID 6430382
10,18-dimethyloctacosane
CID 86203537
(7R)-7-methyltetradecane
CID 163036465
9,21-dimethyldotriacontane
CID 6430458
(7R)-7-methyltricosane
CID 162971691
6-methyloctacosane
CID 22223942
27-methyltripentacontane
CID 91450521

Frequently Asked Questions

What is the IUPAC name of (3S,4E,7R)-1,1-dibromo-3,5,7-trimethyltrideca-1,4-diene?
The IUPAC name of (3S,4E,7R)-1,1-dibromo-3,5,7-trimethyltrideca-1,4-diene (CID 10883405) is (3S,4E,7R)-1,1-dibromo-3,5,7-trimethyltrideca-1,4-diene.
What is the SMILES notation for (3S,4E,7R)-1,1-dibromo-3,5,7-trimethyltrideca-1,4-diene?
The canonical SMILES for (3S,4E,7R)-1,1-dibromo-3,5,7-trimethyltrideca-1,4-diene is CCCCCC[C@@H](C)C/C(C)=C/[C@H](C)C=C(Br)Br.
What is the InChIKey of (3S,4E,7R)-1,1-dibromo-3,5,7-trimethyltrideca-1,4-diene?
The InChIKey is UEDYWIYMJPSGLY-RFHWTAPTSA-N. The full InChI is InChI=1S/C16H28Br2/c1-5-6-7-8-9-13(2)10-14(3)11-15(4)12-16(17)18/h11-13,15H,5-10H2,1-4H3/b14-11+/t13-,15+/m1/s1.
What are the key properties of (3S,4E,7R)-1,1-dibromo-3,5,7-trimethyltrideca-1,4-diene?
(3S,4E,7R)-1,1-dibromo-3,5,7-trimethyltrideca-1,4-diene has a molecular weight of 380.21 g/mol, XLogP of 7.20, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4E,7R)-1,1-dibromo-3,5,7-trimethyltrideca-1,4-diene is sourced from PubChem (CID 10883405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).