2-[(E)-5-bromo-3-methylpent-3-enyl]-1,3,3-trimethylcyclohexene

C15H25Br — CID 10913092

IUPAC2-[(E)-5-bromo-3-methylpent-3-enyl]-1,3,3-trimethylcyclohexene
SMILESCC1=C(CC/C(C)=C/CBr)C(C)(C)CCC1
InChIInChI=1S/C15H25Br/c1-12(9-11-16)7-8-14-13(2)6-5-10-15(14,3)4/h9H,5-8,10-11H2,1-4H3/b12-9+
InChIKeyULXPZTJJLNUQDV-FMIVXFBMSA-N
MW285.27 g/mol
LogP5.63
Rot. Bonds4

About 2-[(E)-5-bromo-3-methylpent-3-enyl]-1,3,3-trimethylcyclohexene

2-[(E)-5-bromo-3-methylpent-3-enyl]-1,3,3-trimethylcyclohexene (PubChem CID 10913092) has the molecular formula C15H25Br and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-[(E)-5-bromo-3-methylpent-3-enyl]-1,3,3-trimethylcyclohexene.

Molecular Properties

Compound Name2-[(E)-5-bromo-3-methylpent-3-enyl]-1,3,3-trimethylcyclohexene
PubChem CID10913092
Molecular FormulaC15H25Br
Molecular Weight285.27 g/mol
Exact Mass284.11
IUPAC Name2-[(E)-5-bromo-3-methylpent-3-enyl]-1,3,3-trimethylcyclohexene
SMILESCC1=C(CC/C(C)=C/CBr)C(C)(C)CCC1
InChIInChI=1S/C15H25Br/c1-12(9-11-16)7-8-14-13(2)6-5-10-15(14,3)4/h9H,5-8,10-11H2,1-4H3/b12-9+
InChIKeyULXPZTJJLNUQDV-FMIVXFBMSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.27
LogP ≤ 55.63
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'}

Analyze 2-[(E)-5-bromo-3-methylpent-3-enyl]-1,3,3-trimethylcyclohexene 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

(S)-beta-Macrocarpene
CID 49859620
Cyclohexene, 1-(1,1-dimethylethyl)-
CID 137926
Isobazzanene
CID 14830703
Pseudowiddrene
CID 15409431
(4R,6S)-4-bromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-diene
CID 21675021
(-)-alpha-Chamigrene
CID 442351
Npc310951
CID 519725
Vitamin K1 Impurity 32
CID 10498678
1-((1S,3S)-3-(Bromomethyl)-1-methyl-2-methylenecyclopentyl)-4-methyl-1,4-cyclohexadiene
CID 21724719
3,3-dimethyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]cyclohexene
CID 163048660
1,5,8,8-Tetramethylcycloundeca-1,5-diene
CID 71318205
2-(2-Bromoethyl)-6,6-dimethylbicyclo(3.1.1)hept-2-ene
CID 20277148

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-5-bromo-3-methylpent-3-enyl]-1,3,3-trimethylcyclohexene?
The IUPAC name of 2-[(E)-5-bromo-3-methylpent-3-enyl]-1,3,3-trimethylcyclohexene (CID 10913092) is 2-[(E)-5-bromo-3-methylpent-3-enyl]-1,3,3-trimethylcyclohexene.
What is the SMILES notation for 2-[(E)-5-bromo-3-methylpent-3-enyl]-1,3,3-trimethylcyclohexene?
The canonical SMILES for 2-[(E)-5-bromo-3-methylpent-3-enyl]-1,3,3-trimethylcyclohexene is CC1=C(CC/C(C)=C/CBr)C(C)(C)CCC1.
What is the InChIKey of 2-[(E)-5-bromo-3-methylpent-3-enyl]-1,3,3-trimethylcyclohexene?
The InChIKey is ULXPZTJJLNUQDV-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H25Br/c1-12(9-11-16)7-8-14-13(2)6-5-10-15(14,3)4/h9H,5-8,10-11H2,1-4H3/b12-9+.
What are the key properties of 2-[(E)-5-bromo-3-methylpent-3-enyl]-1,3,3-trimethylcyclohexene?
2-[(E)-5-bromo-3-methylpent-3-enyl]-1,3,3-trimethylcyclohexene has a molecular weight of 285.27 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-5-bromo-3-methylpent-3-enyl]-1,3,3-trimethylcyclohexene is sourced from PubChem (CID 10913092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).