(6E)-6-ethoxy-2-methylocta-1,3,6-triene

C11H18O — CID 143376929

IUPAC(6E)-6-ethoxy-2-methylocta-1,3,6-triene
SMILESC=C(C)C=CC/C(=C\C)OCC
InChIInChI=1S/C11H18O/c1-5-11(12-6-2)9-7-8-10(3)4/h5,7-8H,3,6,9H2,1-2,4H3/b8-7?,11-5+
InChIKeyOVGBWOKBMNPCDA-NQOZUWHZSA-N
MW166.26 g/mol
LogP3.45
Rot. Bonds5

About (6E)-6-ethoxy-2-methylocta-1,3,6-triene

(6E)-6-ethoxy-2-methylocta-1,3,6-triene (PubChem CID 143376929) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (6E)-6-ethoxy-2-methylocta-1,3,6-triene.

Molecular Properties

Compound Name(6E)-6-ethoxy-2-methylocta-1,3,6-triene
PubChem CID143376929
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(6E)-6-ethoxy-2-methylocta-1,3,6-triene
SMILESC=C(C)C=CC/C(=C\C)OCC
InChIInChI=1S/C11H18O/c1-5-11(12-6-2)9-7-8-10(3)4/h5,7-8H,3,6,9H2,1-2,4H3/b8-7?,11-5+
InChIKeyOVGBWOKBMNPCDA-NQOZUWHZSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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'}

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Related Compounds

1,3,5-Cycloheptatriene, 7-(methoxymethylene)-
CID 639399
(1Z,3Z,5Z,7Z,9Z)-1-propoxydodeca-1,3,5,7,9-pentaene
CID 6440369
3-Ethenyl-6-methoxyhexa-1,3-diene
CID 134835479
1-Ethoxycyclopenta-1,3-diene
CID 12662799
3-Ethyl-6-(2-fluoro-2-methylbutoxy)hepta-1,3,5-triene
CID 90803999
8-(Fluoromethoxy)-2,4-dimethyldeca-2,5,7-triene
CID 90998043
(all-E)-1-Methoxy-1,3,5,7,9-dodecapentaene
CID 92033185
(7R)-5-fluoro-3,7-dimethyl-1-propan-2-yloxycyclohepta-1,3,5-triene
CID 130224965
(3Z,5E)-6-(2-fluoroethoxy)-3-propan-2-ylhepta-1,3,5-triene
CID 134376350
(1E,6Z)-2-(fluoromethyl)-5-[(4-methylcyclohepta-1,3,5-trien-1-yl)oxymethyl]cycloocta-1,3,6-triene
CID 138498694
(3Z,5Z)-6-butoxy-5-fluoro-3-methylhepta-1,3,5-triene
CID 142206939
1-Ethoxy-4-fluorocyclohepta-1,3,5-triene
CID 143106802

Frequently Asked Questions

What is the IUPAC name of (6E)-6-ethoxy-2-methylocta-1,3,6-triene?
The IUPAC name of (6E)-6-ethoxy-2-methylocta-1,3,6-triene (CID 143376929) is (6E)-6-ethoxy-2-methylocta-1,3,6-triene.
What is the SMILES notation for (6E)-6-ethoxy-2-methylocta-1,3,6-triene?
The canonical SMILES for (6E)-6-ethoxy-2-methylocta-1,3,6-triene is C=C(C)C=CC/C(=C\C)OCC.
What is the InChIKey of (6E)-6-ethoxy-2-methylocta-1,3,6-triene?
The InChIKey is OVGBWOKBMNPCDA-NQOZUWHZSA-N. The full InChI is InChI=1S/C11H18O/c1-5-11(12-6-2)9-7-8-10(3)4/h5,7-8H,3,6,9H2,1-2,4H3/b8-7?,11-5+.
What are the key properties of (6E)-6-ethoxy-2-methylocta-1,3,6-triene?
(6E)-6-ethoxy-2-methylocta-1,3,6-triene has a molecular weight of 166.26 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-ethoxy-2-methylocta-1,3,6-triene is sourced from PubChem (CID 143376929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).