3-bromoprop-1-ene;3-bromoprop-1-yne

C6H8Br2 — CID 18624532

IUPAC3-bromoprop-1-ene;3-bromoprop-1-yne
SMILESC#CCBr.C=CCBr
InChIInChI=1S/C3H5Br.C3H3Br/c2*1-2-3-4/h2H,1,3H2;1H,3H2
InChIKeyAEKCPQVMPJWNHL-UHFFFAOYSA-N
MW239.94 g/mol
LogP2.58
Rot. Bonds1

About 3-bromoprop-1-ene;3-bromoprop-1-yne

3-bromoprop-1-ene;3-bromoprop-1-yne (PubChem CID 18624532) has the molecular formula C6H8Br2 and a molecular weight of 239.94 g/mol. Its IUPAC name is 3-bromoprop-1-ene;3-bromoprop-1-yne.

Molecular Properties

Compound Name3-bromoprop-1-ene;3-bromoprop-1-yne
PubChem CID18624532
Molecular FormulaC6H8Br2
Molecular Weight239.94 g/mol
Exact Mass237.90
IUPAC Name3-bromoprop-1-ene;3-bromoprop-1-yne
SMILESC#CCBr.C=CCBr
InChIInChI=1S/C3H5Br.C3H3Br/c2*1-2-3-4/h2H,1,3H2;1H,3H2
InChIKeyAEKCPQVMPJWNHL-UHFFFAOYSA-N
XLogP2.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.94
LogP ≤ 52.58
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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dipotassium;3-bromoprop-1-ene;carbonate
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3-prop-2-ynylsulfonylprop-1-ene
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2-methylbut-3-yn-2-yl prop-2-enyl carbonate
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Frequently Asked Questions

What is the IUPAC name of 3-bromoprop-1-ene;3-bromoprop-1-yne?
The IUPAC name of 3-bromoprop-1-ene;3-bromoprop-1-yne (CID 18624532) is 3-bromoprop-1-ene;3-bromoprop-1-yne.
What is the SMILES notation for 3-bromoprop-1-ene;3-bromoprop-1-yne?
The canonical SMILES for 3-bromoprop-1-ene;3-bromoprop-1-yne is C#CCBr.C=CCBr.
What is the InChIKey of 3-bromoprop-1-ene;3-bromoprop-1-yne?
The InChIKey is AEKCPQVMPJWNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Br.C3H3Br/c2*1-2-3-4/h2H,1,3H2;1H,3H2.
What are the key properties of 3-bromoprop-1-ene;3-bromoprop-1-yne?
3-bromoprop-1-ene;3-bromoprop-1-yne has a molecular weight of 239.94 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoprop-1-ene;3-bromoprop-1-yne is sourced from PubChem (CID 18624532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).