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

C11H20O — CID 71362032

IUPAC8-methoxy-3,6-dimethylocta-1,6-diene
SMILESC=CC(C)CCC(C)=CCOC
InChIInChI=1S/C11H20O/c1-5-10(2)6-7-11(3)8-9-12-4/h5,8,10H,1,6-7,9H2,2-4H3
InChIKeyOWUCZSYIAXDZSD-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.18
Rot. Bonds6

About 8-methoxy-3,6-dimethylocta-1,6-diene

8-methoxy-3,6-dimethylocta-1,6-diene (PubChem CID 71362032) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 8-methoxy-3,6-dimethylocta-1,6-diene.

Molecular Properties

Compound Name8-methoxy-3,6-dimethylocta-1,6-diene
PubChem CID71362032
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name8-methoxy-3,6-dimethylocta-1,6-diene
SMILESC=CC(C)CCC(C)=CCOC
InChIInChI=1S/C11H20O/c1-5-10(2)6-7-11(3)8-9-12-4/h5,8,10H,1,6-7,9H2,2-4H3
InChIKeyOWUCZSYIAXDZSD-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3,6-dimethylocta-1,6-diene?
The IUPAC name of 8-methoxy-3,6-dimethylocta-1,6-diene (CID 71362032) is 8-methoxy-3,6-dimethylocta-1,6-diene.
What is the SMILES notation for 8-methoxy-3,6-dimethylocta-1,6-diene?
The canonical SMILES for 8-methoxy-3,6-dimethylocta-1,6-diene is C=CC(C)CCC(C)=CCOC.
What is the InChIKey of 8-methoxy-3,6-dimethylocta-1,6-diene?
The InChIKey is OWUCZSYIAXDZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-5-10(2)6-7-11(3)8-9-12-4/h5,8,10H,1,6-7,9H2,2-4H3.
What are the key properties of 8-methoxy-3,6-dimethylocta-1,6-diene?
8-methoxy-3,6-dimethylocta-1,6-diene has a molecular weight of 168.28 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3,6-dimethylocta-1,6-diene is sourced from PubChem (CID 71362032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).