(E)-1-methoxyoct-2-ene

C9H18O — CID 11332527

IUPAC(E)-1-methoxyoct-2-ene
SMILESCCCCC/C=C/COC
InChIInChI=1S/C9H18O/c1-3-4-5-6-7-8-9-10-2/h7-8H,3-6,9H2,1-2H3/b8-7+
InChIKeyOKGXDSWMDXXFRK-BQYQJAHWSA-N
MW142.24 g/mol
LogP2.77
Rot. Bonds6

About (E)-1-methoxyoct-2-ene

(E)-1-methoxyoct-2-ene (PubChem CID 11332527) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (E)-1-methoxyoct-2-ene.

Molecular Properties

Compound Name(E)-1-methoxyoct-2-ene
PubChem CID11332527
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(E)-1-methoxyoct-2-ene
SMILESCCCCC/C=C/COC
InChIInChI=1S/C9H18O/c1-3-4-5-6-7-8-9-10-2/h7-8H,3-6,9H2,1-2H3/b8-7+
InChIKeyOKGXDSWMDXXFRK-BQYQJAHWSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.77
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 (E)-1-methoxyoct-2-ene?
The IUPAC name of (E)-1-methoxyoct-2-ene (CID 11332527) is (E)-1-methoxyoct-2-ene.
What is the SMILES notation for (E)-1-methoxyoct-2-ene?
The canonical SMILES for (E)-1-methoxyoct-2-ene is CCCCC/C=C/COC.
What is the InChIKey of (E)-1-methoxyoct-2-ene?
The InChIKey is OKGXDSWMDXXFRK-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H18O/c1-3-4-5-6-7-8-9-10-2/h7-8H,3-6,9H2,1-2H3/b8-7+.
What are the key properties of (E)-1-methoxyoct-2-ene?
(E)-1-methoxyoct-2-ene has a molecular weight of 142.24 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxyoct-2-ene is sourced from PubChem (CID 11332527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).