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

C6H11Br — CID 15245426

IUPAC4-bromo-2,3-dimethylbut-1-ene
SMILESC=C(C)C(C)CBr
InChIInChI=1S/C6H11Br/c1-5(2)6(3)4-7/h6H,1,4H2,2-3H3
InChIKeyKHEGBTSWRVDATP-UHFFFAOYSA-N
MW163.06 g/mol
LogP2.59
Rot. Bonds2

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

4-bromo-2,3-dimethylbut-1-ene (PubChem CID 15245426) has the molecular formula C6H11Br and a molecular weight of 163.06 g/mol. Its IUPAC name is 4-bromo-2,3-dimethylbut-1-ene.

Molecular Properties

Compound Name4-bromo-2,3-dimethylbut-1-ene
PubChem CID15245426
Molecular FormulaC6H11Br
Molecular Weight163.06 g/mol
Exact Mass162.00
IUPAC Name4-bromo-2,3-dimethylbut-1-ene
SMILESC=C(C)C(C)CBr
InChIInChI=1S/C6H11Br/c1-5(2)6(3)4-7/h6H,1,4H2,2-3H3
InChIKeyKHEGBTSWRVDATP-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.06
LogP ≤ 52.59
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

1-Butene, 2-(bromomethyl)-3,3-dimethyl-
CID 11194640
5-Bromo-4-methylpent-1-ene
CID 72956262
1-Brom-2-methylbuten-1
CID 14503597
(Z)-1-bromo-2-methylbut-1-ene
CID 24976000
1-Bromo-2-methylbut-1-ene
CID 54097343
4-Bromo-2-methylbut-1-ene
CID 549585
5-Bromo-3-methylpent-1-ene
CID 13149311
2-(Bromomethyl)but-1-ene
CID 11062538
1-Bromo-3-methylidenepentane
CID 13237176
1-Butene, 2-(bromomethyl)-3-methyl-
CID 11286635
1-Bromo-2-ethyl-3-butene
CID 20074775
(Z)-1-bromo-2,3-dimethylbut-1-ene
CID 167712722

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-dimethylbut-1-ene?
The IUPAC name of 4-bromo-2,3-dimethylbut-1-ene (CID 15245426) is 4-bromo-2,3-dimethylbut-1-ene.
What is the SMILES notation for 4-bromo-2,3-dimethylbut-1-ene?
The canonical SMILES for 4-bromo-2,3-dimethylbut-1-ene is C=C(C)C(C)CBr.
What is the InChIKey of 4-bromo-2,3-dimethylbut-1-ene?
The InChIKey is KHEGBTSWRVDATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Br/c1-5(2)6(3)4-7/h6H,1,4H2,2-3H3.
What are the key properties of 4-bromo-2,3-dimethylbut-1-ene?
4-bromo-2,3-dimethylbut-1-ene has a molecular weight of 163.06 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3-dimethylbut-1-ene is sourced from PubChem (CID 15245426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).