2-[(5E)-7-methylocta-5,7-dienoxy]oxane

C14H24O2 — CID 11183694

IUPAC2-[(5E)-7-methylocta-5,7-dienoxy]oxane
SMILESC=C(C)/C=C/CCCCOC1CCCCO1
InChIInChI=1S/C14H24O2/c1-13(2)9-5-3-4-7-11-15-14-10-6-8-12-16-14/h5,9,14H,1,3-4,6-8,10-12H2,2H3/b9-5+
InChIKeyKMDFHCHBNSYQMA-WEVVVXLNSA-N
MW224.34 g/mol
LogP3.83
Rot. Bonds7

About 2-[(5E)-7-methylocta-5,7-dienoxy]oxane

2-[(5E)-7-methylocta-5,7-dienoxy]oxane (PubChem CID 11183694) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-[(5E)-7-methylocta-5,7-dienoxy]oxane.

Molecular Properties

Compound Name2-[(5E)-7-methylocta-5,7-dienoxy]oxane
PubChem CID11183694
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-[(5E)-7-methylocta-5,7-dienoxy]oxane
SMILESC=C(C)/C=C/CCCCOC1CCCCO1
InChIInChI=1S/C14H24O2/c1-13(2)9-5-3-4-7-11-15-14-10-6-8-12-16-14/h5,9,14H,1,3-4,6-8,10-12H2,2H3/b9-5+
InChIKeyKMDFHCHBNSYQMA-WEVVVXLNSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(5E)-7-methylocta-5,7-dienoxy]oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5E)-7-methylocta-5,7-dienoxy]oxane?
The IUPAC name of 2-[(5E)-7-methylocta-5,7-dienoxy]oxane (CID 11183694) is 2-[(5E)-7-methylocta-5,7-dienoxy]oxane.
What is the SMILES notation for 2-[(5E)-7-methylocta-5,7-dienoxy]oxane?
The canonical SMILES for 2-[(5E)-7-methylocta-5,7-dienoxy]oxane is C=C(C)/C=C/CCCCOC1CCCCO1.
What is the InChIKey of 2-[(5E)-7-methylocta-5,7-dienoxy]oxane?
The InChIKey is KMDFHCHBNSYQMA-WEVVVXLNSA-N. The full InChI is InChI=1S/C14H24O2/c1-13(2)9-5-3-4-7-11-15-14-10-6-8-12-16-14/h5,9,14H,1,3-4,6-8,10-12H2,2H3/b9-5+.
What are the key properties of 2-[(5E)-7-methylocta-5,7-dienoxy]oxane?
2-[(5E)-7-methylocta-5,7-dienoxy]oxane has a molecular weight of 224.34 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5E)-7-methylocta-5,7-dienoxy]oxane is sourced from PubChem (CID 11183694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).