1-bromohept-3-ene

C7H13Br — CID 3023479

IUPAC1-bromohept-3-ene
SMILESCCCC=CCCBr
InChIInChI=1S/C7H13Br/c1-2-3-4-5-6-7-8/h4-5H,2-3,6-7H2,1H3
InChIKeyQLHHQXZNXUUIRO-UHFFFAOYSA-N
MW177.08 g/mol
LogP3.13
Rot. Bonds4

About 1-bromohept-3-ene

1-bromohept-3-ene (PubChem CID 3023479) has the molecular formula C7H13Br and a molecular weight of 177.08 g/mol. Its IUPAC name is 1-bromohept-3-ene.

Molecular Properties

Compound Name1-bromohept-3-ene
PubChem CID3023479
Molecular FormulaC7H13Br
Molecular Weight177.08 g/mol
Exact Mass176.02
IUPAC Name1-bromohept-3-ene
SMILESCCCC=CCCBr
InChIInChI=1S/C7H13Br/c1-2-3-4-5-6-7-8/h4-5H,2-3,6-7H2,1H3
InChIKeyQLHHQXZNXUUIRO-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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Bromo-2-methyl-2-pentene
CID 137521
1-Bromo-2-pentene, predominantly trans
CID 5463000
5-Bromopent-2-ene
CID 11073580
(Z)-1-Bromo-4-decene
CID 10932932
3-Hexene, 1-bromo-, (3Z)-
CID 6436340
2-Pentene, 3-bromo-
CID 6445110
4-Bromopent-1-ene
CID 141675
(2Z)-1-bromopent-2-ene
CID 6110173
1-Bromo-2-hexene
CID 10374753
1-Bromo-3-hexene
CID 6537741
(E)-4-bromopent-2-ene
CID 5362822
4-Nonene, 1-bromo-, (Z)-
CID 5364487

Frequently Asked Questions

What is the IUPAC name of 1-bromohept-3-ene?
The IUPAC name of 1-bromohept-3-ene (CID 3023479) is 1-bromohept-3-ene.
What is the SMILES notation for 1-bromohept-3-ene?
The canonical SMILES for 1-bromohept-3-ene is CCCC=CCCBr.
What is the InChIKey of 1-bromohept-3-ene?
The InChIKey is QLHHQXZNXUUIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Br/c1-2-3-4-5-6-7-8/h4-5H,2-3,6-7H2,1H3.
What are the key properties of 1-bromohept-3-ene?
1-bromohept-3-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 1-bromohept-3-ene is sourced from PubChem (CID 3023479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).