5,5-dibromopent-1-ene

C5H8Br2 — CID 134890321

IUPAC5,5-dibromopent-1-ene
SMILESC=CCCC(Br)Br
InChIInChI=1S/C5H8Br2/c1-2-3-4-5(6)7/h2,5H,1,3-4H2
InChIKeyUFCZVTBGLKHWEK-UHFFFAOYSA-N
MW227.93 g/mol
LogP3.07
Rot. Bonds3

About 5,5-dibromopent-1-ene

5,5-dibromopent-1-ene (PubChem CID 134890321) has the molecular formula C5H8Br2 and a molecular weight of 227.93 g/mol. Its IUPAC name is 5,5-dibromopent-1-ene.

Molecular Properties

Compound Name5,5-dibromopent-1-ene
PubChem CID134890321
Molecular FormulaC5H8Br2
Molecular Weight227.93 g/mol
Exact Mass225.90
IUPAC Name5,5-dibromopent-1-ene
SMILESC=CCCC(Br)Br
InChIInChI=1S/C5H8Br2/c1-2-3-4-5(6)7/h2,5H,1,3-4H2
InChIKeyUFCZVTBGLKHWEK-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.93
LogP ≤ 53.07
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

6-bromohept-1-ene
CID 12722403
11-bromohenicosa-1,20-diene
CID 102253799
bis(buta-1,3-diene);5-methylhex-1-ene
CID 174724270
5-prop-2-enylnona-1,8-diene
CID 54537373
2-but-3-enylhex-5-en-1-amine
CID 130382667
hex-5-ene-2-thiol
CID 12575095
(3S)-3-methylhepta-1,6-diene
CID 145257056
6-bromo-5-methylsulfonylhept-1-ene
CID 11276859
(4S)-octa-1,7-dien-4-amine
CID 124537914
1-bromohex-5-enylbenzene
CID 13296849
7,9-dibromonon-1-ene
CID 15155894
[(2S,3R)-2-phenylhept-6-en-3-yl]benzene
CID 11097015

Frequently Asked Questions

What is the IUPAC name of 5,5-dibromopent-1-ene?
The IUPAC name of 5,5-dibromopent-1-ene (CID 134890321) is 5,5-dibromopent-1-ene.
What is the SMILES notation for 5,5-dibromopent-1-ene?
The canonical SMILES for 5,5-dibromopent-1-ene is C=CCCC(Br)Br.
What is the InChIKey of 5,5-dibromopent-1-ene?
The InChIKey is UFCZVTBGLKHWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Br2/c1-2-3-4-5(6)7/h2,5H,1,3-4H2.
What are the key properties of 5,5-dibromopent-1-ene?
5,5-dibromopent-1-ene has a molecular weight of 227.93 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibromopent-1-ene is sourced from PubChem (CID 134890321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).