1-methoxy-2,6-dimethylocta-1,3-diene

C11H20O — CID 150162074

IUPAC1-methoxy-2,6-dimethylocta-1,3-diene
SMILESCCC(C)CC=CC(C)=COC
InChIInChI=1S/C11H20O/c1-5-10(2)7-6-8-11(3)9-12-4/h6,8-10H,5,7H2,1-4H3
InChIKeyFHQPQGGJVDYORJ-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.53
Rot. Bonds5

About 1-methoxy-2,6-dimethylocta-1,3-diene

1-methoxy-2,6-dimethylocta-1,3-diene (PubChem CID 150162074) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-methoxy-2,6-dimethylocta-1,3-diene.

Molecular Properties

Compound Name1-methoxy-2,6-dimethylocta-1,3-diene
PubChem CID150162074
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-methoxy-2,6-dimethylocta-1,3-diene
SMILESCCC(C)CC=CC(C)=COC
InChIInChI=1S/C11H20O/c1-5-10(2)7-6-8-11(3)9-12-4/h6,8-10H,5,7H2,1-4H3
InChIKeyFHQPQGGJVDYORJ-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.53
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

7-Methoxy-3-methylideneocta-1,6-diene
CID 162915241
(1E)-1-methoxy-7-methyl-3-methylideneocta-1,6-diene
CID 15517012
1-Methoxyoctadien
CID 21873134
Octadienyl ethyl ether
CID 53818685
Methoxyoctadiene
CID 53887681
Dioctadienylether
CID 54395412
Triisopropyloxepine
CID 129804032
1-(2,2-Difluoropropoxy)-4-ethyl-5-methylhepta-1,3-diene
CID 90932075
(3Z,5E)-6-(2-fluoroethoxy)-3-propan-2-ylhepta-1,3,5-triene
CID 134376350
(3Z,5E)-2-fluoro-6-methoxy-5-propan-2-ylhepta-1,3,5-triene
CID 144804642
1-Ethoxy-3,7-dimethylocta-1,6-diene
CID 149163078
E-1-Methoxy-7-methyl-1,6-octadiene
CID 15633717

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,6-dimethylocta-1,3-diene?
The IUPAC name of 1-methoxy-2,6-dimethylocta-1,3-diene (CID 150162074) is 1-methoxy-2,6-dimethylocta-1,3-diene.
What is the SMILES notation for 1-methoxy-2,6-dimethylocta-1,3-diene?
The canonical SMILES for 1-methoxy-2,6-dimethylocta-1,3-diene is CCC(C)CC=CC(C)=COC.
What is the InChIKey of 1-methoxy-2,6-dimethylocta-1,3-diene?
The InChIKey is FHQPQGGJVDYORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-5-10(2)7-6-8-11(3)9-12-4/h6,8-10H,5,7H2,1-4H3.
What are the key properties of 1-methoxy-2,6-dimethylocta-1,3-diene?
1-methoxy-2,6-dimethylocta-1,3-diene has a molecular weight of 168.28 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,6-dimethylocta-1,3-diene is sourced from PubChem (CID 150162074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).