ethane;(2E,4Z,6Z)-5-ethenyl-2-methoxyocta-2,4,6-triene;(2Z,4Z)-5-(methoxymethyl)-6-methylocta-2,4-diene

C26H48O2 — CID 143347928

IUPACethane;(2E,4Z,6Z)-5-ethenyl-2-methoxyocta-2,4,6-triene;(2Z,4Z)-5-(methoxymethyl)-6-methylocta-2,4-diene
SMILESC/C=C\C=C(/COC)C(C)CC.C=CC(/C=C\C)=C/C=C(\C)OC.CC.CC
InChIInChI=1S/C11H16O.C11H20O.2C2H6/c1-5-7-11(6-2)9-8-10(3)12-4;1-5-7-8-11(9-12-4)10(3)6-2;2*1-2/h5-9H,2H2,1,3-4H3;5,7-8,10H,6,9H2,1-4H3;2*1-2H3/b7-5-,10-8+,11-9-;7-5-,11-8+;;
InChIKeyLGALOWQKTHIZCI-FRTWOMINSA-N
MW392.67 g/mol
LogP8.46
Rot. Bonds9

About ethane;(2E,4Z,6Z)-5-ethenyl-2-methoxyocta-2,4,6-triene;(2Z,4Z)-5-(methoxymethyl)-6-methylocta-2,4-diene

ethane;(2E,4Z,6Z)-5-ethenyl-2-methoxyocta-2,4,6-triene;(2Z,4Z)-5-(methoxymethyl)-6-methylocta-2,4-diene (PubChem CID 143347928) has the molecular formula C26H48O2 and a molecular weight of 392.67 g/mol. Its IUPAC name is ethane;(2E,4Z,6Z)-5-ethenyl-2-methoxyocta-2,4,6-triene;(2Z,4Z)-5-(methoxymethyl)-6-methylocta-2,4-diene.

Molecular Properties

Compound Nameethane;(2E,4Z,6Z)-5-ethenyl-2-methoxyocta-2,4,6-triene;(2Z,4Z)-5-(methoxymethyl)-6-methylocta-2,4-diene
PubChem CID143347928
Molecular FormulaC26H48O2
Molecular Weight392.67 g/mol
Exact Mass392.37
IUPAC Nameethane;(2E,4Z,6Z)-5-ethenyl-2-methoxyocta-2,4,6-triene;(2Z,4Z)-5-(methoxymethyl)-6-methylocta-2,4-diene
SMILESC/C=C\C=C(/COC)C(C)CC.C=CC(/C=C\C)=C/C=C(\C)OC.CC.CC
InChIInChI=1S/C11H16O.C11H20O.2C2H6/c1-5-7-11(6-2)9-8-10(3)12-4;1-5-7-8-11(9-12-4)10(3)6-2;2*1-2/h5-9H,2H2,1,3-4H3;5,7-8,10H,6,9H2,1-4H3;2*1-2H3/b7-5-,10-8+,11-9-;7-5-,11-8+;;
InChIKeyLGALOWQKTHIZCI-FRTWOMINSA-N
XLogP8.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.67
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(2E,4Z,6Z)-5-ethenyl-2-methoxyocta-2,4,6-triene;(2Z,4Z)-5-(methoxymethyl)-6-methylocta-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

(3E)-3-fluoro-2,8-dimethoxy-6-methyl-5-methylideneocta-1,3-diene
CID 172276448
(4Z,6Z)-6-[(2S)-butan-2-yl]-4-fluoro-3-methylidene-5-propoxydeca-4,6-diene
CID 173821616
(3E,6E,8Z)-10-ethoxy-6-(ethoxymethyl)-4-[(Z)-3-fluoroprop-1-enyl]-5,8-dimethyldeca-1,3,6,8-tetraene
CID 144334394
(3E,5E,7E,9E)-3-ethyl-4-(5-fluorocyclohepta-2,4-dien-1-yl)-7-methoxy-2H-oxecine
CID 144829961
(3E,7E,11Z)-7-fluoro-2-methoxy-4-(methoxymethyl)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene
CID 145122182
(4Z,8E,12Z)-8-fluoro-1-methoxy-4-(1-methoxyethenyl)-11,14-dimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene
CID 145122521
7-[(1E)-1-ethoxybuta-1,3-dienyl]-4-ethyl-2,3,4,5-tetrahydrooxepine
CID 11333540
2-Ethoxy-3-ethyl-1,6-dimethylcyclohexa-1,3-diene
CID 59271357
2-(2-Methoxy-3-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine
CID 67053423
6-Ethyl-1,3-dimethoxycyclohexa-1,3-diene
CID 68091573
6-Ethyl-2-methoxy-1-methylcyclohexa-1,3-diene
CID 68091650
(5R)-5-ethyl-1,3-dimethoxycyclohexa-1,3-diene
CID 70219242

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4Z,6Z)-5-ethenyl-2-methoxyocta-2,4,6-triene;(2Z,4Z)-5-(methoxymethyl)-6-methylocta-2,4-diene?
The IUPAC name of ethane;(2E,4Z,6Z)-5-ethenyl-2-methoxyocta-2,4,6-triene;(2Z,4Z)-5-(methoxymethyl)-6-methylocta-2,4-diene (CID 143347928) is ethane;(2E,4Z,6Z)-5-ethenyl-2-methoxyocta-2,4,6-triene;(2Z,4Z)-5-(methoxymethyl)-6-methylocta-2,4-diene.
What is the SMILES notation for ethane;(2E,4Z,6Z)-5-ethenyl-2-methoxyocta-2,4,6-triene;(2Z,4Z)-5-(methoxymethyl)-6-methylocta-2,4-diene?
The canonical SMILES for ethane;(2E,4Z,6Z)-5-ethenyl-2-methoxyocta-2,4,6-triene;(2Z,4Z)-5-(methoxymethyl)-6-methylocta-2,4-diene is C/C=C\C=C(/COC)C(C)CC.C=CC(/C=C\C)=C/C=C(\C)OC.CC.CC.
What is the InChIKey of ethane;(2E,4Z,6Z)-5-ethenyl-2-methoxyocta-2,4,6-triene;(2Z,4Z)-5-(methoxymethyl)-6-methylocta-2,4-diene?
The InChIKey is LGALOWQKTHIZCI-FRTWOMINSA-N. The full InChI is InChI=1S/C11H16O.C11H20O.2C2H6/c1-5-7-11(6-2)9-8-10(3)12-4;1-5-7-8-11(9-12-4)10(3)6-2;2*1-2/h5-9H,2H2,1,3-4H3;5,7-8,10H,6,9H2,1-4H3;2*1-2H3/b7-5-,10-8+,11-9-;7-5-,11-8+;;.
What are the key properties of ethane;(2E,4Z,6Z)-5-ethenyl-2-methoxyocta-2,4,6-triene;(2Z,4Z)-5-(methoxymethyl)-6-methylocta-2,4-diene?
ethane;(2E,4Z,6Z)-5-ethenyl-2-methoxyocta-2,4,6-triene;(2Z,4Z)-5-(methoxymethyl)-6-methylocta-2,4-diene has a molecular weight of 392.67 g/mol, XLogP of 8.46, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4Z,6Z)-5-ethenyl-2-methoxyocta-2,4,6-triene;(2Z,4Z)-5-(methoxymethyl)-6-methylocta-2,4-diene is sourced from PubChem (CID 143347928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).