(5E,6E)-1-bromo-5-(1-ethoxyethylidene)-6-prop-2-enylidenecyclohexa-1,3-diene

C13H15BrO — CID 129136898

IUPAC(5E,6E)-1-bromo-5-(1-ethoxyethylidene)-6-prop-2-enylidenecyclohexa-1,3-diene
SMILESC=C/C=c1/c(Br)ccc/c1=C(/C)OCC
InChIInChI=1S/C13H15BrO/c1-4-7-12-11(10(3)15-5-2)8-6-9-13(12)14/h4,6-9H,1,5H2,2-3H3/b11-10+,12-7+
InChIKeyNAKDDGUSWFPZNE-MLKCCRLUSA-N
MW267.17 g/mol
LogP2.58
Rot. Bonds3

About (5E,6E)-1-bromo-5-(1-ethoxyethylidene)-6-prop-2-enylidenecyclohexa-1,3-diene

(5E,6E)-1-bromo-5-(1-ethoxyethylidene)-6-prop-2-enylidenecyclohexa-1,3-diene (PubChem CID 129136898) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is (5E,6E)-1-bromo-5-(1-ethoxyethylidene)-6-prop-2-enylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name(5E,6E)-1-bromo-5-(1-ethoxyethylidene)-6-prop-2-enylidenecyclohexa-1,3-diene
PubChem CID129136898
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name(5E,6E)-1-bromo-5-(1-ethoxyethylidene)-6-prop-2-enylidenecyclohexa-1,3-diene
SMILESC=C/C=c1/c(Br)ccc/c1=C(/C)OCC
InChIInChI=1S/C13H15BrO/c1-4-7-12-11(10(3)15-5-2)8-6-9-13(12)14/h4,6-9H,1,5H2,2-3H3/b11-10+,12-7+
InChIKeyNAKDDGUSWFPZNE-MLKCCRLUSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5E,6E)-1-bromo-5-(1-ethoxyethylidene)-6-prop-2-enylidenecyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5E,6E)-1-bromo-5-(1-ethoxyethylidene)-6-prop-2-enylidenecyclohexa-1,3-diene?
The IUPAC name of (5E,6E)-1-bromo-5-(1-ethoxyethylidene)-6-prop-2-enylidenecyclohexa-1,3-diene (CID 129136898) is (5E,6E)-1-bromo-5-(1-ethoxyethylidene)-6-prop-2-enylidenecyclohexa-1,3-diene.
What is the SMILES notation for (5E,6E)-1-bromo-5-(1-ethoxyethylidene)-6-prop-2-enylidenecyclohexa-1,3-diene?
The canonical SMILES for (5E,6E)-1-bromo-5-(1-ethoxyethylidene)-6-prop-2-enylidenecyclohexa-1,3-diene is C=C/C=c1/c(Br)ccc/c1=C(/C)OCC.
What is the InChIKey of (5E,6E)-1-bromo-5-(1-ethoxyethylidene)-6-prop-2-enylidenecyclohexa-1,3-diene?
The InChIKey is NAKDDGUSWFPZNE-MLKCCRLUSA-N. The full InChI is InChI=1S/C13H15BrO/c1-4-7-12-11(10(3)15-5-2)8-6-9-13(12)14/h4,6-9H,1,5H2,2-3H3/b11-10+,12-7+.
What are the key properties of (5E,6E)-1-bromo-5-(1-ethoxyethylidene)-6-prop-2-enylidenecyclohexa-1,3-diene?
(5E,6E)-1-bromo-5-(1-ethoxyethylidene)-6-prop-2-enylidenecyclohexa-1,3-diene has a molecular weight of 267.17 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-1-bromo-5-(1-ethoxyethylidene)-6-prop-2-enylidenecyclohexa-1,3-diene is sourced from PubChem (CID 129136898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).