6-bromo-5-methylidenehepta-1,3-diene

C8H11Br — CID 123730228

IUPAC6-bromo-5-methylidenehepta-1,3-diene
SMILESC=CC=CC(=C)C(C)Br
InChIInChI=1S/C8H11Br/c1-4-5-6-7(2)8(3)9/h4-6,8H,1-2H2,3H3
InChIKeyZWVAFKMPQGIQDU-UHFFFAOYSA-N
MW187.08 g/mol
LogP3.07
Rot. Bonds3

About 6-bromo-5-methylidenehepta-1,3-diene

6-bromo-5-methylidenehepta-1,3-diene (PubChem CID 123730228) has the molecular formula C8H11Br and a molecular weight of 187.08 g/mol. Its IUPAC name is 6-bromo-5-methylidenehepta-1,3-diene.

Molecular Properties

Compound Name6-bromo-5-methylidenehepta-1,3-diene
PubChem CID123730228
Molecular FormulaC8H11Br
Molecular Weight187.08 g/mol
Exact Mass186.00
IUPAC Name6-bromo-5-methylidenehepta-1,3-diene
SMILESC=CC=CC(=C)C(C)Br
InChIInChI=1S/C8H11Br/c1-4-5-6-7(2)8(3)9/h4-6,8H,1-2H2,3H3
InChIKeyZWVAFKMPQGIQDU-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.08
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-methylidenehepta-4,6-dienoic acid
CID 123881666
ethane;(3Z)-6-methyl-5-methylideneocta-1,3-diene;hydroiodide
CID 143199544
(5Z)-4-methylideneocta-5,7-dien-3-ol
CID 143759474
2-bromohexa-1,3,5-triene
CID 91549125
7-methyl-5-methylideneocta-1,3-diene
CID 123347446
(3E,5Z)-4-(1-iodoethyl)octa-1,3,5,7-tetraene
CID 139332360
(2Z,4Z)-2-phosphanylhepta-2,4,6-trien-3-amine
CID 139493202
ethane;(3Z)-hexa-1,3,5-triene;4-methyl-3-methylidenepent-1-ene
CID 145476448
(3Z)-8-methyl-5-methylidenenona-1,3-diene
CID 143490392
diethyl 2-[(3Z)-hexa-1,3,5-trien-2-yl]propanedioate
CID 143898880
ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene
CID 145268478
(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;methane
CID 156726265

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methylidenehepta-1,3-diene?
The IUPAC name of 6-bromo-5-methylidenehepta-1,3-diene (CID 123730228) is 6-bromo-5-methylidenehepta-1,3-diene.
What is the SMILES notation for 6-bromo-5-methylidenehepta-1,3-diene?
The canonical SMILES for 6-bromo-5-methylidenehepta-1,3-diene is C=CC=CC(=C)C(C)Br.
What is the InChIKey of 6-bromo-5-methylidenehepta-1,3-diene?
The InChIKey is ZWVAFKMPQGIQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Br/c1-4-5-6-7(2)8(3)9/h4-6,8H,1-2H2,3H3.
What are the key properties of 6-bromo-5-methylidenehepta-1,3-diene?
6-bromo-5-methylidenehepta-1,3-diene has a molecular weight of 187.08 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methylidenehepta-1,3-diene is sourced from PubChem (CID 123730228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).