(6E)-8-(2-methoxyethoxy)octa-1,6-diene

C11H20O2 — CID 11344418

IUPAC(6E)-8-(2-methoxyethoxy)octa-1,6-diene
SMILESC=CCCC/C=C/COCCOC
InChIInChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-13-11-10-12-2/h3,7-8H,1,4-6,9-11H2,2H3/b8-7+
InChIKeyLHXXYVSDHOUACN-BQYQJAHWSA-N
MW184.28 g/mol
LogP2.56
Rot. Bonds9

About (6E)-8-(2-methoxyethoxy)octa-1,6-diene

(6E)-8-(2-methoxyethoxy)octa-1,6-diene (PubChem CID 11344418) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (6E)-8-(2-methoxyethoxy)octa-1,6-diene.

Molecular Properties

Compound Name(6E)-8-(2-methoxyethoxy)octa-1,6-diene
PubChem CID11344418
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(6E)-8-(2-methoxyethoxy)octa-1,6-diene
SMILESC=CCCC/C=C/COCCOC
InChIInChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-13-11-10-12-2/h3,7-8H,1,4-6,9-11H2,2H3/b8-7+
InChIKeyLHXXYVSDHOUACN-BQYQJAHWSA-N
XLogP2.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (6E)-8-(2-methoxyethoxy)octa-1,6-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

2-[2-[2-[2-(2-octa-2,7-dienoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 87170296
bis(2-octa-2,7-dienoxyethyl) but-2-enedioate
CID 91193780
9-nona-2,8-dienoxynona-1,7-diene
CID 174408599
dodeca-1,6,11-triene
CID 548864
4-(2-methoxyethoxy)but-2-en-1-amine
CID 77110475
5-[(E)-but-2-enoxy]pent-1-ene
CID 173358116
bis(8-ethoxyocta-1,6-diene);bis(2-octa-2,7-dienoxyethanol);oxotitanium(2+)
CID 87836311
trimethyl-[(2E)-octa-2,7-dienoxy]silane
CID 22620662
8-methoxyocta-1,6-diene;2-methylnona-3,8-dienoic acid
CID 88642568
1-(2-methoxyethoxy)oct-7-en-3-one
CID 102927341
tris[2-(2-methoxyethoxy)ethoxy]-pent-4-enylsilane
CID 87934278
(1E)-1-methoxyhepta-1,6-diene
CID 19739385

Frequently Asked Questions

What is the IUPAC name of (6E)-8-(2-methoxyethoxy)octa-1,6-diene?
The IUPAC name of (6E)-8-(2-methoxyethoxy)octa-1,6-diene (CID 11344418) is (6E)-8-(2-methoxyethoxy)octa-1,6-diene.
What is the SMILES notation for (6E)-8-(2-methoxyethoxy)octa-1,6-diene?
The canonical SMILES for (6E)-8-(2-methoxyethoxy)octa-1,6-diene is C=CCCC/C=C/COCCOC.
What is the InChIKey of (6E)-8-(2-methoxyethoxy)octa-1,6-diene?
The InChIKey is LHXXYVSDHOUACN-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-13-11-10-12-2/h3,7-8H,1,4-6,9-11H2,2H3/b8-7+.
What are the key properties of (6E)-8-(2-methoxyethoxy)octa-1,6-diene?
(6E)-8-(2-methoxyethoxy)octa-1,6-diene has a molecular weight of 184.28 g/mol, XLogP of 2.56, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-8-(2-methoxyethoxy)octa-1,6-diene is sourced from PubChem (CID 11344418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).