4-bromo-2,4-dimethylpent-2-ene

C7H13Br — CID 15174080

IUPAC4-bromo-2,4-dimethylpent-2-ene
SMILESCC(C)=CC(C)(C)Br
InChIInChI=1S/C7H13Br/c1-6(2)5-7(3,4)8/h5H,1-4H3
InChIKeyDUENWEOYGLRVEP-UHFFFAOYSA-N
MW177.08 g/mol
LogP3.13
Rot. Bonds1

About 4-bromo-2,4-dimethylpent-2-ene

4-bromo-2,4-dimethylpent-2-ene (PubChem CID 15174080) has the molecular formula C7H13Br and a molecular weight of 177.08 g/mol. Its IUPAC name is 4-bromo-2,4-dimethylpent-2-ene.

Molecular Properties

Compound Name4-bromo-2,4-dimethylpent-2-ene
PubChem CID15174080
Molecular FormulaC7H13Br
Molecular Weight177.08 g/mol
Exact Mass176.02
IUPAC Name4-bromo-2,4-dimethylpent-2-ene
SMILESCC(C)=CC(C)(C)Br
InChIInChI=1S/C7H13Br/c1-6(2)5-7(3,4)8/h5H,1-4H3
InChIKeyDUENWEOYGLRVEP-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.08
LogP ≤ 53.13
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

5-Bromo-2-methyl-2-pentene
CID 137521
2-Pentene, 3-bromo-
CID 6445110
(E)-4-bromopent-2-ene
CID 5362822
1-Bromo-4-methylhex-3-ene
CID 53395414
6-Bromo-2-methylhex-2-ene
CID 13638116
(z)-2-Bromo-2-pentene
CID 10866503
(z)-4-Bromo-2-pentene
CID 21765830
4-Bromo-3-heptene
CID 53439897
2-Bromo-pent-2-ene
CID 53764555
(E)-5-bromo-3-methyl-pent-2-ene
CID 11744952
1-Bromo-3-ethylpent-2-ene
CID 10965066
(e)-2-Bromo-2-pentene
CID 11744789

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,4-dimethylpent-2-ene?
The IUPAC name of 4-bromo-2,4-dimethylpent-2-ene (CID 15174080) is 4-bromo-2,4-dimethylpent-2-ene.
What is the SMILES notation for 4-bromo-2,4-dimethylpent-2-ene?
The canonical SMILES for 4-bromo-2,4-dimethylpent-2-ene is CC(C)=CC(C)(C)Br.
What is the InChIKey of 4-bromo-2,4-dimethylpent-2-ene?
The InChIKey is DUENWEOYGLRVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Br/c1-6(2)5-7(3,4)8/h5H,1-4H3.
What are the key properties of 4-bromo-2,4-dimethylpent-2-ene?
4-bromo-2,4-dimethylpent-2-ene has a molecular weight of 177.08 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,4-dimethylpent-2-ene is sourced from PubChem (CID 15174080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).