1-bromo-2-methylbut-1-ene

C5H9Br — CID 54097343

IUPAC1-bromo-2-methylbut-1-ene
SMILESCCC(C)=CBr
InChIInChI=1S/C5H9Br/c1-3-5(2)4-6/h4H,3H2,1-2H3
InChIKeyQWXOKLBTBADFAI-UHFFFAOYSA-N
MW149.03 g/mol
LogP2.70
Rot. Bonds1

About 1-bromo-2-methylbut-1-ene

1-bromo-2-methylbut-1-ene (PubChem CID 54097343) has the molecular formula C5H9Br and a molecular weight of 149.03 g/mol. Its IUPAC name is 1-bromo-2-methylbut-1-ene.

Molecular Properties

Compound Name1-bromo-2-methylbut-1-ene
PubChem CID54097343
Molecular FormulaC5H9Br
Molecular Weight149.03 g/mol
Exact Mass147.99
IUPAC Name1-bromo-2-methylbut-1-ene
SMILESCCC(C)=CBr
InChIInChI=1S/C5H9Br/c1-3-5(2)4-6/h4H,3H2,1-2H3
InChIKeyQWXOKLBTBADFAI-UHFFFAOYSA-N
XLogP2.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.03
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(E)-1-bromo-2-methylbut-1-ene
CID 14503597
(Z)-3-methylpent-2-ene;(E)-3-methylpent-2-ene
CID 44630372
ethane;(E)-3-methylpent-2-ene
CID 144523626
3-methylpent-2-ene;zirconium
CID 174393280
ethane;3-methylpent-2-ene;propane
CID 144514263
1-bromo-2-(113C)methyl(1,3-13C2)prop-1-ene
CID 76973307
2,5-dimethylhepta-2,4-diene
CID 54097255
methane;(E)-3-methylhex-3-ene
CID 157350431
methane;(Z)-3-methylhex-3-ene
CID 168892321
butane;ethane;3-methylpent-2-ene
CID 145294341
ethyl 4-bromo-3-methylbut-3-enoate
CID 174775720
(Z)-1-methoxy-2-methylbut-1-ene
CID 3033475

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methylbut-1-ene?
The IUPAC name of 1-bromo-2-methylbut-1-ene (CID 54097343) is 1-bromo-2-methylbut-1-ene.
What is the SMILES notation for 1-bromo-2-methylbut-1-ene?
The canonical SMILES for 1-bromo-2-methylbut-1-ene is CCC(C)=CBr.
What is the InChIKey of 1-bromo-2-methylbut-1-ene?
The InChIKey is QWXOKLBTBADFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Br/c1-3-5(2)4-6/h4H,3H2,1-2H3.
What are the key properties of 1-bromo-2-methylbut-1-ene?
1-bromo-2-methylbut-1-ene has a molecular weight of 149.03 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methylbut-1-ene is sourced from PubChem (CID 54097343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).