5-bromo-4-ethyl-6-methylidenenona-2,4,7-triene

C12H17Br — CID 123219391

IUPAC5-bromo-4-ethyl-6-methylidenenona-2,4,7-triene
SMILESC=C(C=CC)C(Br)=C(C=CC)CC
InChIInChI=1S/C12H17Br/c1-5-8-10(4)12(13)11(7-3)9-6-2/h5-6,8-9H,4,7H2,1-3H3
InChIKeyQUAMZMWMQSQBQV-UHFFFAOYSA-N
MW241.17 g/mol
LogP4.75
Rot. Bonds4

About 5-bromo-4-ethyl-6-methylidenenona-2,4,7-triene

5-bromo-4-ethyl-6-methylidenenona-2,4,7-triene (PubChem CID 123219391) has the molecular formula C12H17Br and a molecular weight of 241.17 g/mol. Its IUPAC name is 5-bromo-4-ethyl-6-methylidenenona-2,4,7-triene.

Molecular Properties

Compound Name5-bromo-4-ethyl-6-methylidenenona-2,4,7-triene
PubChem CID123219391
Molecular FormulaC12H17Br
Molecular Weight241.17 g/mol
Exact Mass240.05
IUPAC Name5-bromo-4-ethyl-6-methylidenenona-2,4,7-triene
SMILESC=C(C=CC)C(Br)=C(C=CC)CC
InChIInChI=1S/C12H17Br/c1-5-8-10(4)12(13)11(7-3)9-6-2/h5-6,8-9H,4,7H2,1-3H3
InChIKeyQUAMZMWMQSQBQV-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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(4Z)-3-methylidene-N-propylhexa-1,4-dien-2-amine
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but-2-ene;2-methylbut-1-ene
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(3Z)-2-bromopenta-1,3-diene
CID 89363869
1-ethyl-4-[(3E,5Z)-4-ethylhepta-1,3,5-trien-3-yl]benzene
CID 143819695
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CID 166467413
(5Z)-4-methylidenehepta-1,5-diene
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4-methylidenehepta-1,5-diene
CID 76553064
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CID 145032190

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-ethyl-6-methylidenenona-2,4,7-triene?
The IUPAC name of 5-bromo-4-ethyl-6-methylidenenona-2,4,7-triene (CID 123219391) is 5-bromo-4-ethyl-6-methylidenenona-2,4,7-triene.
What is the SMILES notation for 5-bromo-4-ethyl-6-methylidenenona-2,4,7-triene?
The canonical SMILES for 5-bromo-4-ethyl-6-methylidenenona-2,4,7-triene is C=C(C=CC)C(Br)=C(C=CC)CC.
What is the InChIKey of 5-bromo-4-ethyl-6-methylidenenona-2,4,7-triene?
The InChIKey is QUAMZMWMQSQBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br/c1-5-8-10(4)12(13)11(7-3)9-6-2/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of 5-bromo-4-ethyl-6-methylidenenona-2,4,7-triene?
5-bromo-4-ethyl-6-methylidenenona-2,4,7-triene has a molecular weight of 241.17 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-ethyl-6-methylidenenona-2,4,7-triene is sourced from PubChem (CID 123219391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).