(E)-1-bromo-2-methylbut-1-ene

C5H9Br — CID 14503597

IUPAC(E)-1-bromo-2-methylbut-1-ene
SMILESCC/C(C)=C/Br
InChIInChI=1S/C5H9Br/c1-3-5(2)4-6/h4H,3H2,1-2H3/b5-4+
InChIKeyQWXOKLBTBADFAI-SNAWJCMRSA-N
MW149.03 g/mol
LogP2.70
Rot. Bonds1

About (E)-1-bromo-2-methylbut-1-ene

(E)-1-bromo-2-methylbut-1-ene (PubChem CID 14503597) has the molecular formula C5H9Br and a molecular weight of 149.03 g/mol. Its IUPAC name is (E)-1-bromo-2-methylbut-1-ene.

Molecular Properties

Compound Name(E)-1-bromo-2-methylbut-1-ene
PubChem CID14503597
Molecular FormulaC5H9Br
Molecular Weight149.03 g/mol
Exact Mass147.99
IUPAC Name(E)-1-bromo-2-methylbut-1-ene
SMILESCC/C(C)=C/Br
InChIInChI=1S/C5H9Br/c1-3-5(2)4-6/h4H,3H2,1-2H3/b5-4+
InChIKeyQWXOKLBTBADFAI-SNAWJCMRSA-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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Frequently Asked Questions

What is the IUPAC name of (E)-1-bromo-2-methylbut-1-ene?
The IUPAC name of (E)-1-bromo-2-methylbut-1-ene (CID 14503597) is (E)-1-bromo-2-methylbut-1-ene.
What is the SMILES notation for (E)-1-bromo-2-methylbut-1-ene?
The canonical SMILES for (E)-1-bromo-2-methylbut-1-ene is CC/C(C)=C/Br.
What is the InChIKey of (E)-1-bromo-2-methylbut-1-ene?
The InChIKey is QWXOKLBTBADFAI-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H9Br/c1-3-5(2)4-6/h4H,3H2,1-2H3/b5-4+.
What are the key properties of (E)-1-bromo-2-methylbut-1-ene?
(E)-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 (E)-1-bromo-2-methylbut-1-ene is sourced from PubChem (CID 14503597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).