5-bromohex-2-ene

C6H11Br — CID 53438987

IUPAC5-bromohex-2-ene
SMILESCC=CCC(C)Br
InChIInChI=1S/C6H11Br/c1-3-4-5-6(2)7/h3-4,6H,5H2,1-2H3
InChIKeyKIINZLUFNDBOOT-UHFFFAOYSA-N
MW163.06 g/mol
LogP2.74
Rot. Bonds2

About 5-bromohex-2-ene

5-bromohex-2-ene (PubChem CID 53438987) has the molecular formula C6H11Br and a molecular weight of 163.06 g/mol. Its IUPAC name is 5-bromohex-2-ene.

Molecular Properties

Compound Name5-bromohex-2-ene
PubChem CID53438987
Molecular FormulaC6H11Br
Molecular Weight163.06 g/mol
Exact Mass162.00
IUPAC Name5-bromohex-2-ene
SMILESCC=CCC(C)Br
InChIInChI=1S/C6H11Br/c1-3-4-5-6(2)7/h3-4,6H,5H2,1-2H3
InChIKeyKIINZLUFNDBOOT-UHFFFAOYSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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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Related Compounds

3-bromohepta-1,5-diene
CID 123472776
(6E)-4-bromoocta-1,6-diene
CID 87341581
ethane;(E)-5-methylhex-2-ene
CID 143114143
(3S,5Z)-3-methylhepta-1,5-diene
CID 24884419
2-bromooct-4-ene
CID 142101254
5-bromooct-2-ene
CID 57219131
ethane;5-methylhex-2-ene;propane
CID 143336274
(E)-5-methylhept-2-ene
CID 5364849
2-bromohex-4-enoic acid
CID 57026294
(E)-2-methylhept-5-en-3-ol
CID 12592438
3-methylhept-5-en-1-yne
CID 123154929
ethane;(Z)-5-methoxyhex-2-ene
CID 145378965

Frequently Asked Questions

What is the IUPAC name of 5-bromohex-2-ene?
The IUPAC name of 5-bromohex-2-ene (CID 53438987) is 5-bromohex-2-ene.
What is the SMILES notation for 5-bromohex-2-ene?
The canonical SMILES for 5-bromohex-2-ene is CC=CCC(C)Br.
What is the InChIKey of 5-bromohex-2-ene?
The InChIKey is KIINZLUFNDBOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Br/c1-3-4-5-6(2)7/h3-4,6H,5H2,1-2H3.
What are the key properties of 5-bromohex-2-ene?
5-bromohex-2-ene has a molecular weight of 163.06 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromohex-2-ene is sourced from PubChem (CID 53438987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).