(2E,4Z)-2-(4-ethoxy-2-methylbutan-2-yl)oxyhexa-2,4-diene

C13H24O2 — CID 130305823

IUPAC(2E,4Z)-2-(4-ethoxy-2-methylbutan-2-yl)oxyhexa-2,4-diene
SMILESC/C=C\C=C(/C)OC(C)(C)CCOCC
InChIInChI=1S/C13H24O2/c1-6-8-9-12(3)15-13(4,5)10-11-14-7-2/h6,8-9H,7,10-11H2,1-5H3/b8-6-,12-9+
InChIKeyDAMVOPQQKAGMRT-ZHAQITPWSA-N
MW212.33 g/mol
LogP3.69
Rot. Bonds7

About (2E,4Z)-2-(4-ethoxy-2-methylbutan-2-yl)oxyhexa-2,4-diene

(2E,4Z)-2-(4-ethoxy-2-methylbutan-2-yl)oxyhexa-2,4-diene (PubChem CID 130305823) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (2E,4Z)-2-(4-ethoxy-2-methylbutan-2-yl)oxyhexa-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-2-(4-ethoxy-2-methylbutan-2-yl)oxyhexa-2,4-diene
PubChem CID130305823
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(2E,4Z)-2-(4-ethoxy-2-methylbutan-2-yl)oxyhexa-2,4-diene
SMILESC/C=C\C=C(/C)OC(C)(C)CCOCC
InChIInChI=1S/C13H24O2/c1-6-8-9-12(3)15-13(4,5)10-11-14-7-2/h6,8-9H,7,10-11H2,1-5H3/b8-6-,12-9+
InChIKeyDAMVOPQQKAGMRT-ZHAQITPWSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4Z)-2-(4-ethoxy-2-methylbutan-2-yl)oxyhexa-2,4-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 (2E,4Z)-2-(4-ethoxy-2-methylbutan-2-yl)oxyhexa-2,4-diene?
The IUPAC name of (2E,4Z)-2-(4-ethoxy-2-methylbutan-2-yl)oxyhexa-2,4-diene (CID 130305823) is (2E,4Z)-2-(4-ethoxy-2-methylbutan-2-yl)oxyhexa-2,4-diene.
What is the SMILES notation for (2E,4Z)-2-(4-ethoxy-2-methylbutan-2-yl)oxyhexa-2,4-diene?
The canonical SMILES for (2E,4Z)-2-(4-ethoxy-2-methylbutan-2-yl)oxyhexa-2,4-diene is C/C=C\C=C(/C)OC(C)(C)CCOCC.
What is the InChIKey of (2E,4Z)-2-(4-ethoxy-2-methylbutan-2-yl)oxyhexa-2,4-diene?
The InChIKey is DAMVOPQQKAGMRT-ZHAQITPWSA-N. The full InChI is InChI=1S/C13H24O2/c1-6-8-9-12(3)15-13(4,5)10-11-14-7-2/h6,8-9H,7,10-11H2,1-5H3/b8-6-,12-9+.
What are the key properties of (2E,4Z)-2-(4-ethoxy-2-methylbutan-2-yl)oxyhexa-2,4-diene?
(2E,4Z)-2-(4-ethoxy-2-methylbutan-2-yl)oxyhexa-2,4-diene has a molecular weight of 212.33 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-(4-ethoxy-2-methylbutan-2-yl)oxyhexa-2,4-diene is sourced from PubChem (CID 130305823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).