(2Z,4E,6Z)-4-ethoxy-5-methylocta-2,4,6-triene

C11H18O — CID 143146513

IUPAC(2Z,4E,6Z)-4-ethoxy-5-methylocta-2,4,6-triene
SMILESC/C=C\C(C)=C(/C=C\C)OCC
InChIInChI=1S/C11H18O/c1-5-8-10(4)11(9-6-2)12-7-3/h5-6,8-9H,7H2,1-4H3/b8-5-,9-6-,11-10+
InChIKeyKJAFHZZEOIQBHH-DAIJPMSISA-N
MW166.26 g/mol
LogP3.45
Rot. Bonds4

About (2Z,4E,6Z)-4-ethoxy-5-methylocta-2,4,6-triene

(2Z,4E,6Z)-4-ethoxy-5-methylocta-2,4,6-triene (PubChem CID 143146513) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (2Z,4E,6Z)-4-ethoxy-5-methylocta-2,4,6-triene.

Molecular Properties

Compound Name(2Z,4E,6Z)-4-ethoxy-5-methylocta-2,4,6-triene
PubChem CID143146513
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(2Z,4E,6Z)-4-ethoxy-5-methylocta-2,4,6-triene
SMILESC/C=C\C(C)=C(/C=C\C)OCC
InChIInChI=1S/C11H18O/c1-5-8-10(4)11(9-6-2)12-7-3/h5-6,8-9H,7H2,1-4H3/b8-5-,9-6-,11-10+
InChIKeyKJAFHZZEOIQBHH-DAIJPMSISA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4E,6Z)-4-ethoxy-5-methylocta-2,4,6-triene 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

2-ethoxybut-2-ene;silane
CID 174428196
ethyl (E)-but-2-enoate;methanamine
CID 88817268
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
4-methoxy-5-methylhepta-2,4-diene
CID 91556490
3-methoxy-2-methylhexa-2,4-dien-1-amine
CID 123607717
ethyl acetate;hexa-2,4-dienoic acid
CID 173416974
(2Z,4Z,6Z)-4-methyl-5-propylocta-2,4,6-triene
CID 144517044
3,4-diethoxyhexa-2,4-diene
CID 141009141
(2-ethoxy-2-oxoethyl) (E)-but-2-enoate
CID 22635026
(1-ethoxyethylideneamino) 2-oxopent-3-enoate
CID 72624007
ethyl (E)-2-[(E)-prop-1-enyl]pent-2-enoate
CID 46873133
ethyl (E)-but-2-enoate;methyl 2-methylprop-2-enoate
CID 18785000

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6Z)-4-ethoxy-5-methylocta-2,4,6-triene?
The IUPAC name of (2Z,4E,6Z)-4-ethoxy-5-methylocta-2,4,6-triene (CID 143146513) is (2Z,4E,6Z)-4-ethoxy-5-methylocta-2,4,6-triene.
What is the SMILES notation for (2Z,4E,6Z)-4-ethoxy-5-methylocta-2,4,6-triene?
The canonical SMILES for (2Z,4E,6Z)-4-ethoxy-5-methylocta-2,4,6-triene is C/C=C\C(C)=C(/C=C\C)OCC.
What is the InChIKey of (2Z,4E,6Z)-4-ethoxy-5-methylocta-2,4,6-triene?
The InChIKey is KJAFHZZEOIQBHH-DAIJPMSISA-N. The full InChI is InChI=1S/C11H18O/c1-5-8-10(4)11(9-6-2)12-7-3/h5-6,8-9H,7H2,1-4H3/b8-5-,9-6-,11-10+.
What are the key properties of (2Z,4E,6Z)-4-ethoxy-5-methylocta-2,4,6-triene?
(2Z,4E,6Z)-4-ethoxy-5-methylocta-2,4,6-triene has a molecular weight of 166.26 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6Z)-4-ethoxy-5-methylocta-2,4,6-triene is sourced from PubChem (CID 143146513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).