6-bromohept-1-ene

C7H13Br — CID 12722403

IUPAC6-bromohept-1-ene
SMILESC=CCCCC(C)Br
InChIInChI=1S/C7H13Br/c1-3-4-5-6-7(2)8/h3,7H,1,4-6H2,2H3
InChIKeyNFYSVENHRGYWJB-UHFFFAOYSA-N
MW177.08 g/mol
LogP3.13
Rot. Bonds4

About 6-bromohept-1-ene

6-bromohept-1-ene (PubChem CID 12722403) has the molecular formula C7H13Br and a molecular weight of 177.08 g/mol. Its IUPAC name is 6-bromohept-1-ene.

Molecular Properties

Compound Name6-bromohept-1-ene
PubChem CID12722403
Molecular FormulaC7H13Br
Molecular Weight177.08 g/mol
Exact Mass176.02
IUPAC Name6-bromohept-1-ene
SMILESC=CCCCC(C)Br
InChIInChI=1S/C7H13Br/c1-3-4-5-6-7(2)8/h3,7H,1,4-6H2,2H3
InChIKeyNFYSVENHRGYWJB-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.08
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-6-(2-bromoethyl)oct-1-ene
CID 130382702
2-ethoxyoct-7-en-3-ol
CID 64541753
25-methylhexacos-1-ene
CID 141407501
11-bromohenicosa-1,20-diene
CID 102253799
26-methylheptacos-1-ene
CID 154926473
2-methylnon-8-en-4-amine
CID 11829678
dec-9-ene-2,3-diol
CID 107008756
6,8,8-trimethylnon-1-ene
CID 55273877
(8S)-9-bromo-8-methylnon-1-ene
CID 125475999
9-bromooctadec-1-ene
CID 167439794
6,7,8,9-tetramethyltetradec-1-ene
CID 57142635
6-(bromomethyl)-7,7-dimethyloct-1-ene
CID 165446936

Frequently Asked Questions

What is the IUPAC name of 6-bromohept-1-ene?
The IUPAC name of 6-bromohept-1-ene (CID 12722403) is 6-bromohept-1-ene.
What is the SMILES notation for 6-bromohept-1-ene?
The canonical SMILES for 6-bromohept-1-ene is C=CCCCC(C)Br.
What is the InChIKey of 6-bromohept-1-ene?
The InChIKey is NFYSVENHRGYWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Br/c1-3-4-5-6-7(2)8/h3,7H,1,4-6H2,2H3.
What are the key properties of 6-bromohept-1-ene?
6-bromohept-1-ene has a molecular weight of 177.08 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromohept-1-ene is sourced from PubChem (CID 12722403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).