3-methylbut-1-ene;hydrobromide

C5H11Br — CID 158395600

IUPAC3-methylbut-1-ene;hydrobromide
SMILESBr.C=CC(C)C
InChIInChI=1S/C5H10.BrH/c1-4-5(2)3;/h4-5H,1H2,2-3H3;1H
InChIKeyILXDLAVFLZGFME-UHFFFAOYSA-N
MW151.05 g/mol
LogP2.41
Rot. Bonds1

About 3-methylbut-1-ene;hydrobromide

3-methylbut-1-ene;hydrobromide (PubChem CID 158395600) has the molecular formula C5H11Br and a molecular weight of 151.05 g/mol. Its IUPAC name is 3-methylbut-1-ene;hydrobromide.

Molecular Properties

Compound Name3-methylbut-1-ene;hydrobromide
PubChem CID158395600
Molecular FormulaC5H11Br
Molecular Weight151.05 g/mol
Exact Mass150.00
IUPAC Name3-methylbut-1-ene;hydrobromide
SMILESBr.C=CC(C)C
InChIInChI=1S/C5H10.BrH/c1-4-5(2)3;/h4-5H,1H2,2-3H3;1H
InChIKeyILXDLAVFLZGFME-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.05
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;ethene;3-methylbut-1-ene
CID 145381296
methanamine;3-methylbut-1-ene
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methane;methanol;3-methylbut-1-ene;2-methylpropane
CID 160799549
acetylene;cyclopropane;ethane;3-methylbut-1-ene
CID 144527433
3,4-dimethylhexa-1,5-diene
CID 521244
(2S)-but-3-en-2-amine
CID 10034575
ethane;3-methylpenta-1,4-diene
CID 144868161
CID 102399593
CID 102399593
buta-1,3-diene;butane-2,3-diol;but-3-en-2-ol
CID 157123316
3-methylbut-1-ene;2-methylheptane
CID 157223055
buta-1,3-diene;2-methylpropane
CID 161376198
but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;prop-1-ene
CID 174863450

Frequently Asked Questions

What is the IUPAC name of 3-methylbut-1-ene;hydrobromide?
The IUPAC name of 3-methylbut-1-ene;hydrobromide (CID 158395600) is 3-methylbut-1-ene;hydrobromide.
What is the SMILES notation for 3-methylbut-1-ene;hydrobromide?
The canonical SMILES for 3-methylbut-1-ene;hydrobromide is Br.C=CC(C)C.
What is the InChIKey of 3-methylbut-1-ene;hydrobromide?
The InChIKey is ILXDLAVFLZGFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.BrH/c1-4-5(2)3;/h4-5H,1H2,2-3H3;1H.
What are the key properties of 3-methylbut-1-ene;hydrobromide?
3-methylbut-1-ene;hydrobromide has a molecular weight of 151.05 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-1-ene;hydrobromide is sourced from PubChem (CID 158395600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).