3-bromohex-1-ene

C6H11Br — CID 19963847

IUPAC3-bromohex-1-ene
SMILESC=CC(Br)CCC
InChIInChI=1S/C6H11Br/c1-3-5-6(7)4-2/h4,6H,2-3,5H2,1H3
InChIKeyUTVCDGRAYVLNBH-UHFFFAOYSA-N
MW163.06 g/mol
LogP2.74
Rot. Bonds3

About 3-bromohex-1-ene

3-bromohex-1-ene (PubChem CID 19963847) has the molecular formula C6H11Br and a molecular weight of 163.06 g/mol. Its IUPAC name is 3-bromohex-1-ene.

Molecular Properties

Compound Name3-bromohex-1-ene
PubChem CID19963847
Molecular FormulaC6H11Br
Molecular Weight163.06 g/mol
Exact Mass162.00
IUPAC Name3-bromohex-1-ene
SMILESC=CC(Br)CCC
InChIInChI=1S/C6H11Br/c1-3-5-6(7)4-2/h4,6H,2-3,5H2,1H3
InChIKeyUTVCDGRAYVLNBH-UHFFFAOYSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.06
LogP ≤ 52.74
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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Frequently Asked Questions

What is the IUPAC name of 3-bromohex-1-ene?
The IUPAC name of 3-bromohex-1-ene (CID 19963847) is 3-bromohex-1-ene.
What is the SMILES notation for 3-bromohex-1-ene?
The canonical SMILES for 3-bromohex-1-ene is C=CC(Br)CCC.
What is the InChIKey of 3-bromohex-1-ene?
The InChIKey is UTVCDGRAYVLNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Br/c1-3-5-6(7)4-2/h4,6H,2-3,5H2,1H3.
What are the key properties of 3-bromohex-1-ene?
3-bromohex-1-ene has a molecular weight of 163.06 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromohex-1-ene is sourced from PubChem (CID 19963847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).