(E)-5-bromohept-3-ene

C7H13Br — CID 10888461

IUPAC(E)-5-bromohept-3-ene
SMILESCC/C=C/C(Br)CC
InChIInChI=1S/C7H13Br/c1-3-5-6-7(8)4-2/h5-7H,3-4H2,1-2H3/b6-5+
InChIKeyOXJIIRURHHBFNN-AATRIKPKSA-N
MW177.08 g/mol
LogP3.13
Rot. Bonds3

About (E)-5-bromohept-3-ene

(E)-5-bromohept-3-ene (PubChem CID 10888461) has the molecular formula C7H13Br and a molecular weight of 177.08 g/mol. Its IUPAC name is (E)-5-bromohept-3-ene.

Molecular Properties

Compound Name(E)-5-bromohept-3-ene
PubChem CID10888461
Molecular FormulaC7H13Br
Molecular Weight177.08 g/mol
Exact Mass176.02
IUPAC Name(E)-5-bromohept-3-ene
SMILESCC/C=C/C(Br)CC
InChIInChI=1S/C7H13Br/c1-3-5-6-7(8)4-2/h5-7H,3-4H2,1-2H3/b6-5+
InChIKeyOXJIIRURHHBFNN-AATRIKPKSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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': '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 (E)-5-bromohept-3-ene?
The IUPAC name of (E)-5-bromohept-3-ene (CID 10888461) is (E)-5-bromohept-3-ene.
What is the SMILES notation for (E)-5-bromohept-3-ene?
The canonical SMILES for (E)-5-bromohept-3-ene is CC/C=C/C(Br)CC.
What is the InChIKey of (E)-5-bromohept-3-ene?
The InChIKey is OXJIIRURHHBFNN-AATRIKPKSA-N. The full InChI is InChI=1S/C7H13Br/c1-3-5-6-7(8)4-2/h5-7H,3-4H2,1-2H3/b6-5+.
What are the key properties of (E)-5-bromohept-3-ene?
(E)-5-bromohept-3-ene has a molecular weight of 177.08 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-bromohept-3-ene is sourced from PubChem (CID 10888461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).