(6E)-4-bromoocta-1,6-diene

C8H13Br — CID 87341581

IUPAC(6E)-4-bromoocta-1,6-diene
SMILESC=CCC(Br)C/C=C/C
InChIInChI=1S/C8H13Br/c1-3-5-7-8(9)6-4-2/h3-5,8H,2,6-7H2,1H3/b5-3+
InChIKeyDNNZSCXAWQOVOV-HWKANZROSA-N
MW189.10 g/mol
LogP3.29
Rot. Bonds4

About (6E)-4-bromoocta-1,6-diene

(6E)-4-bromoocta-1,6-diene (PubChem CID 87341581) has the molecular formula C8H13Br and a molecular weight of 189.10 g/mol. Its IUPAC name is (6E)-4-bromoocta-1,6-diene.

Molecular Properties

Compound Name(6E)-4-bromoocta-1,6-diene
PubChem CID87341581
Molecular FormulaC8H13Br
Molecular Weight189.10 g/mol
Exact Mass188.02
IUPAC Name(6E)-4-bromoocta-1,6-diene
SMILESC=CCC(Br)C/C=C/C
InChIInChI=1S/C8H13Br/c1-3-5-7-8(9)6-4-2/h3-5,8H,2,6-7H2,1H3/b5-3+
InChIKeyDNNZSCXAWQOVOV-HWKANZROSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.10
LogP ≤ 53.29
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

4-bromodeca-1,8-diene
CID 150882644
5-bromohex-2-ene
CID 53438987
3-bromohepta-1,5-diene
CID 123472776
5-bromooct-2-ene
CID 57219131
(3S,5Z)-3-methylhepta-1,5-diene
CID 24884419
(7E)-4-methylnona-1,7-diene
CID 173060914
(5E)-hepta-1,5-diene-3-thiol
CID 135193081
nona-1,7-dien-5-ol
CID 57009885
hexa-1,4-diene
CID 163631115
5-bromo-4-methylhex-1-ene
CID 78976582
2-bromohex-4-enoic acid
CID 57026294
(4S,5E,8E)-6-methyldeca-1,5,8-trien-4-ol
CID 132557737

Frequently Asked Questions

What is the IUPAC name of (6E)-4-bromoocta-1,6-diene?
The IUPAC name of (6E)-4-bromoocta-1,6-diene (CID 87341581) is (6E)-4-bromoocta-1,6-diene.
What is the SMILES notation for (6E)-4-bromoocta-1,6-diene?
The canonical SMILES for (6E)-4-bromoocta-1,6-diene is C=CCC(Br)C/C=C/C.
What is the InChIKey of (6E)-4-bromoocta-1,6-diene?
The InChIKey is DNNZSCXAWQOVOV-HWKANZROSA-N. The full InChI is InChI=1S/C8H13Br/c1-3-5-7-8(9)6-4-2/h3-5,8H,2,6-7H2,1H3/b5-3+.
What are the key properties of (6E)-4-bromoocta-1,6-diene?
(6E)-4-bromoocta-1,6-diene has a molecular weight of 189.10 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-4-bromoocta-1,6-diene is sourced from PubChem (CID 87341581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).