(E)-1,2-dibromohept-1-ene

C7H12Br2 — CID 134985754

IUPAC(E)-1,2-dibromohept-1-ene
SMILESCCCCC/C(Br)=C\Br
InChIInChI=1S/C7H12Br2/c1-2-3-4-5-7(9)6-8/h6H,2-5H2,1H3/b7-6+
InChIKeyXFDRUDZAWROAIH-VOTSOKGWSA-N
MW255.98 g/mol
LogP4.20
Rot. Bonds4

About (E)-1,2-dibromohept-1-ene

(E)-1,2-dibromohept-1-ene (PubChem CID 134985754) has the molecular formula C7H12Br2 and a molecular weight of 255.98 g/mol. Its IUPAC name is (E)-1,2-dibromohept-1-ene.

Molecular Properties

Compound Name(E)-1,2-dibromohept-1-ene
PubChem CID134985754
Molecular FormulaC7H12Br2
Molecular Weight255.98 g/mol
Exact Mass253.93
IUPAC Name(E)-1,2-dibromohept-1-ene
SMILESCCCCC/C(Br)=C\Br
InChIInChI=1S/C7H12Br2/c1-2-3-4-5-7(9)6-8/h6H,2-5H2,1H3/b7-6+
InChIKeyXFDRUDZAWROAIH-VOTSOKGWSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.98
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-bromooct-2-ene
CID 13181431
(E)-1,2-dibromopent-1-ene
CID 15353359
(13E,15E)-13,16-dibromooctacosa-13,15-diene
CID 101467578
(E)-1,2-diiodohept-1-ene
CID 15312157
(E)-1,2-diiododec-1-ene
CID 11361339
2-iodooct-1-enyl(trimethyl)silane
CID 71353850
1,1,1-trifluoro-3-iodooct-2-ene
CID 72824718
2-bromotetradec-1-ene
CID 2757183
hexadecanoyl bromide
CID 10041615
2-methylhept-1-en-1-ol
CID 141483452
(E)-3-iodo-1-methoxynon-2-ene
CID 10493117
butyl (Z)-3-bromoundec-2-enoate
CID 11449990

Frequently Asked Questions

What is the IUPAC name of (E)-1,2-dibromohept-1-ene?
The IUPAC name of (E)-1,2-dibromohept-1-ene (CID 134985754) is (E)-1,2-dibromohept-1-ene.
What is the SMILES notation for (E)-1,2-dibromohept-1-ene?
The canonical SMILES for (E)-1,2-dibromohept-1-ene is CCCCC/C(Br)=C\Br.
What is the InChIKey of (E)-1,2-dibromohept-1-ene?
The InChIKey is XFDRUDZAWROAIH-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H12Br2/c1-2-3-4-5-7(9)6-8/h6H,2-5H2,1H3/b7-6+.
What are the key properties of (E)-1,2-dibromohept-1-ene?
(E)-1,2-dibromohept-1-ene has a molecular weight of 255.98 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-dibromohept-1-ene is sourced from PubChem (CID 134985754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).