1,7-dibromohept-2-ene

C7H12Br2 — CID 171472304

IUPAC1,7-dibromohept-2-ene
SMILESBrCC=CCCCCBr
InChIInChI=1S/C7H12Br2/c8-6-4-2-1-3-5-7-9/h2,4H,1,3,5-7H2
InChIKeyGSXYRYCLLRNVPI-UHFFFAOYSA-N
MW255.98 g/mol
LogP3.50
Rot. Bonds5

About 1,7-dibromohept-2-ene

1,7-dibromohept-2-ene (PubChem CID 171472304) has the molecular formula C7H12Br2 and a molecular weight of 255.98 g/mol. Its IUPAC name is 1,7-dibromohept-2-ene.

Molecular Properties

Compound Name1,7-dibromohept-2-ene
PubChem CID171472304
Molecular FormulaC7H12Br2
Molecular Weight255.98 g/mol
Exact Mass253.93
IUPAC Name1,7-dibromohept-2-ene
SMILESBrCC=CCCCCBr
InChIInChI=1S/C7H12Br2/c8-6-4-2-1-3-5-7-9/h2,4H,1,3,5-7H2
InChIKeyGSXYRYCLLRNVPI-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.98
LogP ≤ 53.50
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

1,12-dibromododec-2-ene
CID 54440565
1,25-dibromopentacos-12-ene
CID 168864699
7-bromohept-2-en-1-ol
CID 85361103
(E)-1-bromoundec-5-ene
CID 13044969
(E)-1,6-dibromohex-1-ene
CID 14774978
1-bromonon-2-ene
CID 54029005
(Z)-12-bromododec-3-en-1-ol
CID 163205087
1-bromononadec-2-ene
CID 174854290
(E)-17-bromoheptadec-3-en-1-ol
CID 163204836
1-bromo-12-chlorododeca-2,10-diene
CID 74322485
(E)-15-bromopentadec-5-ene
CID 14309355
(Z)-16-bromohexadec-5-ene
CID 11645149

Frequently Asked Questions

What is the IUPAC name of 1,7-dibromohept-2-ene?
The IUPAC name of 1,7-dibromohept-2-ene (CID 171472304) is 1,7-dibromohept-2-ene.
What is the SMILES notation for 1,7-dibromohept-2-ene?
The canonical SMILES for 1,7-dibromohept-2-ene is BrCC=CCCCCBr.
What is the InChIKey of 1,7-dibromohept-2-ene?
The InChIKey is GSXYRYCLLRNVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Br2/c8-6-4-2-1-3-5-7-9/h2,4H,1,3,5-7H2.
What are the key properties of 1,7-dibromohept-2-ene?
1,7-dibromohept-2-ene has a molecular weight of 255.98 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dibromohept-2-ene is sourced from PubChem (CID 171472304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).