(2E,4Z)-3-ethoxy-6-methylidenenona-2,4-diene

C12H19O- — CID 90782032

IUPAC(2E,4Z)-3-ethoxy-6-methylidenenona-2,4-diene
SMILESC=C(/C=C\C(=C/C)OCC)C[CH-]C
InChIInChI=1S/C12H19O/c1-5-8-11(4)9-10-12(6-2)13-7-3/h5-6,9-10H,4,7-8H2,1-3H3/q-1/b10-9-,12-6+
InChIKeyNUQZIXNANVFVKJ-MTBRRYQKSA-N
MW179.28 g/mol
LogP3.65
Rot. Bonds6

About (2E,4Z)-3-ethoxy-6-methylidenenona-2,4-diene

(2E,4Z)-3-ethoxy-6-methylidenenona-2,4-diene (PubChem CID 90782032) has the molecular formula C12H19O- and a molecular weight of 179.28 g/mol. Its IUPAC name is (2E,4Z)-3-ethoxy-6-methylidenenona-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-3-ethoxy-6-methylidenenona-2,4-diene
PubChem CID90782032
Molecular FormulaC12H19O-
Molecular Weight179.28 g/mol
Exact Mass179.14
IUPAC Name(2E,4Z)-3-ethoxy-6-methylidenenona-2,4-diene
SMILESC=C(/C=C\C(=C/C)OCC)C[CH-]C
InChIInChI=1S/C12H19O/c1-5-8-11(4)9-10-12(6-2)13-7-3/h5-6,9-10H,4,7-8H2,1-3H3/q-1/b10-9-,12-6+
InChIKeyNUQZIXNANVFVKJ-MTBRRYQKSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4Z)-3-ethoxy-6-methylidenenona-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

Related Compounds

ethyl (E)-4-methylidenehex-2-enoate
CID 11126476
(3Z,5E)-5-ethoxy-3-methylhepta-1,3,5-triene
CID 131995054
(3Z,5E)-5-methoxy-2-(methylsulfanylmethyl)hepta-1,3,5-triene
CID 166777674
cyanomethyl 2,2-dichloro-1-[(3Z,5E)-5-ethoxyhepta-1,3,5-trien-2-yl]cyclopropane-1-carboxylate
CID 143088133
(1E,3Z)-2-chloro-5-methylidenehepta-1,3-dien-1-amine
CID 90048186
ethyl prop-2-enoate;hydroiodide
CID 159738872
prop-1-ene;(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-diene
CID 144612607
(3Z,5E)-2-methyl-5-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene
CID 144927287
3,4-diethoxyhexa-2,4-diene
CID 141009141
(E)-3-methylidenepent-1-en-1-amine
CID 154554960
(5-methoxy-2-methylidenehepta-3,5-dienyl) N-(1-hydroxy-2-methylpropan-2-yl)ethanimidate
CID 123219816
(2E,4Z)-3-(3-methylbut-3-enoxy)hexa-2,4-diene
CID 166724830

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3-ethoxy-6-methylidenenona-2,4-diene?
The IUPAC name of (2E,4Z)-3-ethoxy-6-methylidenenona-2,4-diene (CID 90782032) is (2E,4Z)-3-ethoxy-6-methylidenenona-2,4-diene.
What is the SMILES notation for (2E,4Z)-3-ethoxy-6-methylidenenona-2,4-diene?
The canonical SMILES for (2E,4Z)-3-ethoxy-6-methylidenenona-2,4-diene is C=C(/C=C\C(=C/C)OCC)C[CH-]C.
What is the InChIKey of (2E,4Z)-3-ethoxy-6-methylidenenona-2,4-diene?
The InChIKey is NUQZIXNANVFVKJ-MTBRRYQKSA-N. The full InChI is InChI=1S/C12H19O/c1-5-8-11(4)9-10-12(6-2)13-7-3/h5-6,9-10H,4,7-8H2,1-3H3/q-1/b10-9-,12-6+.
What are the key properties of (2E,4Z)-3-ethoxy-6-methylidenenona-2,4-diene?
(2E,4Z)-3-ethoxy-6-methylidenenona-2,4-diene has a molecular weight of 179.28 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-ethoxy-6-methylidenenona-2,4-diene is sourced from PubChem (CID 90782032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).