(5E)-5-bromohepta-1,5-diene

C7H11Br — CID 163878412

IUPAC(5E)-5-bromohepta-1,5-diene
SMILESC=CCC/C(Br)=C\C
InChIInChI=1S/C7H11Br/c1-3-5-6-7(8)4-2/h3-4H,1,5-6H2,2H3/b7-4+
InChIKeyPQYHNJLXBZULAA-QPJJXVBHSA-N
MW175.07 g/mol
LogP3.25
Rot. Bonds3

About (5E)-5-bromohepta-1,5-diene

(5E)-5-bromohepta-1,5-diene (PubChem CID 163878412) has the molecular formula C7H11Br and a molecular weight of 175.07 g/mol. Its IUPAC name is (5E)-5-bromohepta-1,5-diene.

Molecular Properties

Compound Name(5E)-5-bromohepta-1,5-diene
PubChem CID163878412
Molecular FormulaC7H11Br
Molecular Weight175.07 g/mol
Exact Mass174.00
IUPAC Name(5E)-5-bromohepta-1,5-diene
SMILESC=CCC/C(Br)=C\C
InChIInChI=1S/C7H11Br/c1-3-5-6-7(8)4-2/h3-4H,1,5-6H2,2H3/b7-4+
InChIKeyPQYHNJLXBZULAA-QPJJXVBHSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.07
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-methylhepta-1,5-diene
CID 54049787
ethane;(5E)-5-propan-2-ylhepta-1,5-diene
CID 142226106
ethane;(5Z)-5-methylhepta-1,5-diene
CID 142997772
ethane;N-fluoro-N-methylhexa-1,5-dien-2-amine
CID 162360697
N,N-diaminohexa-1,5-dien-2-amine
CID 171097369
(5E)-5-methoxyhepta-1,5-diene
CID 88979708
hexa-1,5-dien-2-ol
CID 71321875
(Z)-3-bromooct-2-ene
CID 13181431
5-methylidenehept-1-ene
CID 54202269
1-hydroxyhept-6-en-3-one
CID 152521380
but-3-en-1-ol;(E)-pent-3-en-1-ol
CID 88803615
(2Z)-octa-2,7-dien-3-ol
CID 11116072

Frequently Asked Questions

What is the IUPAC name of (5E)-5-bromohepta-1,5-diene?
The IUPAC name of (5E)-5-bromohepta-1,5-diene (CID 163878412) is (5E)-5-bromohepta-1,5-diene.
What is the SMILES notation for (5E)-5-bromohepta-1,5-diene?
The canonical SMILES for (5E)-5-bromohepta-1,5-diene is C=CCC/C(Br)=C\C.
What is the InChIKey of (5E)-5-bromohepta-1,5-diene?
The InChIKey is PQYHNJLXBZULAA-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H11Br/c1-3-5-6-7(8)4-2/h3-4H,1,5-6H2,2H3/b7-4+.
What are the key properties of (5E)-5-bromohepta-1,5-diene?
(5E)-5-bromohepta-1,5-diene has a molecular weight of 175.07 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-bromohepta-1,5-diene is sourced from PubChem (CID 163878412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).