(5E)-4-bromo-2-ethylcyclonona-1,3,5-triene

C11H15Br — CID 174091096

IUPAC(5E)-4-bromo-2-ethylcyclonona-1,3,5-triene
SMILESCCC1=CCCC/C=C/C(Br)=C1
InChIInChI=1S/C11H15Br/c1-2-10-7-5-3-4-6-8-11(12)9-10/h6-9H,2-5H2,1H3/b8-6+,10-7?,11-9?
InChIKeyVKOCQGBSMQRHFW-NYZDEALMSA-N
MW227.15 g/mol
LogP4.34
Rot. Bonds1

About (5E)-4-bromo-2-ethylcyclonona-1,3,5-triene

(5E)-4-bromo-2-ethylcyclonona-1,3,5-triene (PubChem CID 174091096) has the molecular formula C11H15Br and a molecular weight of 227.15 g/mol. Its IUPAC name is (5E)-4-bromo-2-ethylcyclonona-1,3,5-triene.

Molecular Properties

Compound Name(5E)-4-bromo-2-ethylcyclonona-1,3,5-triene
PubChem CID174091096
Molecular FormulaC11H15Br
Molecular Weight227.15 g/mol
Exact Mass226.04
IUPAC Name(5E)-4-bromo-2-ethylcyclonona-1,3,5-triene
SMILESCCC1=CCCC/C=C/C(Br)=C1
InChIInChI=1S/C11H15Br/c1-2-10-7-5-3-4-6-8-11(12)9-10/h6-9H,2-5H2,1H3/b8-6+,10-7?,11-9?
InChIKeyVKOCQGBSMQRHFW-NYZDEALMSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.15
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (5E)-4-bromo-2-ethylcyclonona-1,3,5-triene?
The IUPAC name of (5E)-4-bromo-2-ethylcyclonona-1,3,5-triene (CID 174091096) is (5E)-4-bromo-2-ethylcyclonona-1,3,5-triene.
What is the SMILES notation for (5E)-4-bromo-2-ethylcyclonona-1,3,5-triene?
The canonical SMILES for (5E)-4-bromo-2-ethylcyclonona-1,3,5-triene is CCC1=CCCC/C=C/C(Br)=C1.
What is the InChIKey of (5E)-4-bromo-2-ethylcyclonona-1,3,5-triene?
The InChIKey is VKOCQGBSMQRHFW-NYZDEALMSA-N. The full InChI is InChI=1S/C11H15Br/c1-2-10-7-5-3-4-6-8-11(12)9-10/h6-9H,2-5H2,1H3/b8-6+,10-7?,11-9?.
What are the key properties of (5E)-4-bromo-2-ethylcyclonona-1,3,5-triene?
(5E)-4-bromo-2-ethylcyclonona-1,3,5-triene has a molecular weight of 227.15 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-bromo-2-ethylcyclonona-1,3,5-triene is sourced from PubChem (CID 174091096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).