(6E)-8-methoxyocta-1,6-diene

C9H16O — CID 5362853

IUPAC(6E)-8-methoxyocta-1,6-diene
SMILESC=CCCC/C=C/COC
InChIInChI=1S/C9H16O/c1-3-4-5-6-7-8-9-10-2/h3,7-8H,1,4-6,9H2,2H3/b8-7+
InChIKeyMIJJHRIQVWIQGL-BQYQJAHWSA-N
MW140.23 g/mol
LogP2.55
Rot. Bonds6

About (6E)-8-methoxyocta-1,6-diene

(6E)-8-methoxyocta-1,6-diene (PubChem CID 5362853) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (6E)-8-methoxyocta-1,6-diene.

Molecular Properties

Compound Name(6E)-8-methoxyocta-1,6-diene
PubChem CID5362853
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(6E)-8-methoxyocta-1,6-diene
SMILESC=CCCC/C=C/COC
InChIInChI=1S/C9H16O/c1-3-4-5-6-7-8-9-10-2/h3,7-8H,1,4-6,9H2,2H3/b8-7+
InChIKeyMIJJHRIQVWIQGL-BQYQJAHWSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E)-8-methoxyocta-1,6-diene?
The IUPAC name of (6E)-8-methoxyocta-1,6-diene (CID 5362853) is (6E)-8-methoxyocta-1,6-diene.
What is the SMILES notation for (6E)-8-methoxyocta-1,6-diene?
The canonical SMILES for (6E)-8-methoxyocta-1,6-diene is C=CCCC/C=C/COC.
What is the InChIKey of (6E)-8-methoxyocta-1,6-diene?
The InChIKey is MIJJHRIQVWIQGL-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H16O/c1-3-4-5-6-7-8-9-10-2/h3,7-8H,1,4-6,9H2,2H3/b8-7+.
What are the key properties of (6E)-8-methoxyocta-1,6-diene?
(6E)-8-methoxyocta-1,6-diene has a molecular weight of 140.23 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-8-methoxyocta-1,6-diene is sourced from PubChem (CID 5362853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).