(1E)-1-methoxy-7-methylocta-1,6-diene

C10H18O — CID 15633717

IUPAC(1E)-1-methoxy-7-methylocta-1,6-diene
SMILESCO/C=C/CCCC=C(C)C
InChIInChI=1S/C10H18O/c1-10(2)8-6-4-5-7-9-11-3/h7-9H,4-6H2,1-3H3/b9-7+
InChIKeyZKGWPONGWWMTFS-VQHVLOKHSA-N
MW154.25 g/mol
LogP3.28
Rot. Bonds5

About (1E)-1-methoxy-7-methylocta-1,6-diene

(1E)-1-methoxy-7-methylocta-1,6-diene (PubChem CID 15633717) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (1E)-1-methoxy-7-methylocta-1,6-diene.

Molecular Properties

Compound Name(1E)-1-methoxy-7-methylocta-1,6-diene
PubChem CID15633717
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(1E)-1-methoxy-7-methylocta-1,6-diene
SMILESCO/C=C/CCCC=C(C)C
InChIInChI=1S/C10H18O/c1-10(2)8-6-4-5-7-9-11-3/h7-9H,4-6H2,1-3H3/b9-7+
InChIKeyZKGWPONGWWMTFS-VQHVLOKHSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (1E)-1-methoxy-7-methylocta-1,6-diene?
The IUPAC name of (1E)-1-methoxy-7-methylocta-1,6-diene (CID 15633717) is (1E)-1-methoxy-7-methylocta-1,6-diene.
What is the SMILES notation for (1E)-1-methoxy-7-methylocta-1,6-diene?
The canonical SMILES for (1E)-1-methoxy-7-methylocta-1,6-diene is CO/C=C/CCCC=C(C)C.
What is the InChIKey of (1E)-1-methoxy-7-methylocta-1,6-diene?
The InChIKey is ZKGWPONGWWMTFS-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H18O/c1-10(2)8-6-4-5-7-9-11-3/h7-9H,4-6H2,1-3H3/b9-7+.
What are the key properties of (1E)-1-methoxy-7-methylocta-1,6-diene?
(1E)-1-methoxy-7-methylocta-1,6-diene has a molecular weight of 154.25 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-methoxy-7-methylocta-1,6-diene is sourced from PubChem (CID 15633717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).