[(E,2R)-5-bromo-2,4-dimethylpent-3-enyl]benzene

C13H17Br — CID 11097089

IUPAC[(E,2R)-5-bromo-2,4-dimethylpent-3-enyl]benzene
SMILESC/C(=C\[C@H](C)Cc1ccccc1)CBr
InChIInChI=1S/C13H17Br/c1-11(8-12(2)10-14)9-13-6-4-3-5-7-13/h3-8,11H,9-10H2,1-2H3/b12-8+/t11-/m0/s1
InChIKeyREQVOZASDAUMLJ-SERMCNLOSA-N
MW253.18 g/mol
LogP4.21
Rot. Bonds4

About [(E,2R)-5-bromo-2,4-dimethylpent-3-enyl]benzene

[(E,2R)-5-bromo-2,4-dimethylpent-3-enyl]benzene (PubChem CID 11097089) has the molecular formula C13H17Br and a molecular weight of 253.18 g/mol. Its IUPAC name is [(E,2R)-5-bromo-2,4-dimethylpent-3-enyl]benzene.

Molecular Properties

Compound Name[(E,2R)-5-bromo-2,4-dimethylpent-3-enyl]benzene
PubChem CID11097089
Molecular FormulaC13H17Br
Molecular Weight253.18 g/mol
Exact Mass252.05
IUPAC Name[(E,2R)-5-bromo-2,4-dimethylpent-3-enyl]benzene
SMILESC/C(=C\[C@H](C)Cc1ccccc1)CBr
InChIInChI=1S/C13H17Br/c1-11(8-12(2)10-14)9-13-6-4-3-5-7-13/h3-8,11H,9-10H2,1-2H3/b12-8+/t11-/m0/s1
InChIKeyREQVOZASDAUMLJ-SERMCNLOSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 54.21
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'}

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Related Compounds

(6-bromo-2-methoxy-3,5-dimethylhex-4-enyl)benzene
CID 71340439
2,4-dimethyl-5-phenylpent-2-enoic acid
CID 76793021
(E)-6-bromo-5-methyl-1-phenylhex-4-en-3-ol
CID 11701728
[(E)-3-bromo-2-methylprop-1-enyl]benzene
CID 10910824
N-(2-methyl-3-phenylpropylidene)hydroxylamine
CID 88518263
(2R)-2-methyl-3-phenylpropan-1-imine
CID 59990579
ethane;2-methylpropylbenzene
CID 162200929
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
(2S)-2-methyl-3-phenylpropanal;(2S)-2-methyl-3-phenylpropan-1-ol
CID 91547293
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
formic acid;2-methylpropylbenzene
CID 162001374
2-bromo-3-phenylpropanal;ethane
CID 90858202

Frequently Asked Questions

What is the IUPAC name of [(E,2R)-5-bromo-2,4-dimethylpent-3-enyl]benzene?
The IUPAC name of [(E,2R)-5-bromo-2,4-dimethylpent-3-enyl]benzene (CID 11097089) is [(E,2R)-5-bromo-2,4-dimethylpent-3-enyl]benzene.
What is the SMILES notation for [(E,2R)-5-bromo-2,4-dimethylpent-3-enyl]benzene?
The canonical SMILES for [(E,2R)-5-bromo-2,4-dimethylpent-3-enyl]benzene is C/C(=C\[C@H](C)Cc1ccccc1)CBr.
What is the InChIKey of [(E,2R)-5-bromo-2,4-dimethylpent-3-enyl]benzene?
The InChIKey is REQVOZASDAUMLJ-SERMCNLOSA-N. The full InChI is InChI=1S/C13H17Br/c1-11(8-12(2)10-14)9-13-6-4-3-5-7-13/h3-8,11H,9-10H2,1-2H3/b12-8+/t11-/m0/s1.
What are the key properties of [(E,2R)-5-bromo-2,4-dimethylpent-3-enyl]benzene?
[(E,2R)-5-bromo-2,4-dimethylpent-3-enyl]benzene has a molecular weight of 253.18 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2R)-5-bromo-2,4-dimethylpent-3-enyl]benzene is sourced from PubChem (CID 11097089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).