3-bromo-2,4,4-trimethylpent-1-ene

C8H15Br — CID 13485237

IUPAC3-bromo-2,4,4-trimethylpent-1-ene
SMILESC=C(C)C(Br)C(C)(C)C
InChIInChI=1S/C8H15Br/c1-6(2)7(9)8(3,4)5/h7H,1H2,2-5H3
InChIKeyVDOHFIKZENNNEB-UHFFFAOYSA-N
MW191.11 g/mol
LogP3.37
Rot. Bonds1

About 3-bromo-2,4,4-trimethylpent-1-ene

3-bromo-2,4,4-trimethylpent-1-ene (PubChem CID 13485237) has the molecular formula C8H15Br and a molecular weight of 191.11 g/mol. Its IUPAC name is 3-bromo-2,4,4-trimethylpent-1-ene.

Molecular Properties

Compound Name3-bromo-2,4,4-trimethylpent-1-ene
PubChem CID13485237
Molecular FormulaC8H15Br
Molecular Weight191.11 g/mol
Exact Mass190.04
IUPAC Name3-bromo-2,4,4-trimethylpent-1-ene
SMILESC=C(C)C(Br)C(C)(C)C
InChIInChI=1S/C8H15Br/c1-6(2)7(9)8(3,4)5/h7H,1H2,2-5H3
InChIKeyVDOHFIKZENNNEB-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 53.37
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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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,4,4-trimethylpent-1-ene?
The IUPAC name of 3-bromo-2,4,4-trimethylpent-1-ene (CID 13485237) is 3-bromo-2,4,4-trimethylpent-1-ene.
What is the SMILES notation for 3-bromo-2,4,4-trimethylpent-1-ene?
The canonical SMILES for 3-bromo-2,4,4-trimethylpent-1-ene is C=C(C)C(Br)C(C)(C)C.
What is the InChIKey of 3-bromo-2,4,4-trimethylpent-1-ene?
The InChIKey is VDOHFIKZENNNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Br/c1-6(2)7(9)8(3,4)5/h7H,1H2,2-5H3.
What are the key properties of 3-bromo-2,4,4-trimethylpent-1-ene?
3-bromo-2,4,4-trimethylpent-1-ene has a molecular weight of 191.11 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,4,4-trimethylpent-1-ene is sourced from PubChem (CID 13485237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).