6-(1-ethoxyethoxy)-2,6-dimethylocta-1,7-diene

C14H26O2 — CID 57477009

IUPAC6-(1-ethoxyethoxy)-2,6-dimethylocta-1,7-diene
SMILESC=CC(C)(CCCC(=C)C)OC(C)OCC
InChIInChI=1S/C14H26O2/c1-7-14(6,11-9-10-12(3)4)16-13(5)15-8-2/h7,13H,1,3,8-11H2,2,4-6H3
InChIKeyNCBYDABGWVXXQB-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.08
Rot. Bonds9

About 6-(1-ethoxyethoxy)-2,6-dimethylocta-1,7-diene

6-(1-ethoxyethoxy)-2,6-dimethylocta-1,7-diene (PubChem CID 57477009) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 6-(1-ethoxyethoxy)-2,6-dimethylocta-1,7-diene.

Molecular Properties

Compound Name6-(1-ethoxyethoxy)-2,6-dimethylocta-1,7-diene
PubChem CID57477009
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name6-(1-ethoxyethoxy)-2,6-dimethylocta-1,7-diene
SMILESC=CC(C)(CCCC(=C)C)OC(C)OCC
InChIInChI=1S/C14H26O2/c1-7-14(6,11-9-10-12(3)4)16-13(5)15-8-2/h7,13H,1,3,8-11H2,2,4-6H3
InChIKeyNCBYDABGWVXXQB-UHFFFAOYSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethoxyethoxy)-2,6-dimethylocta-1,7-diene?
The IUPAC name of 6-(1-ethoxyethoxy)-2,6-dimethylocta-1,7-diene (CID 57477009) is 6-(1-ethoxyethoxy)-2,6-dimethylocta-1,7-diene.
What is the SMILES notation for 6-(1-ethoxyethoxy)-2,6-dimethylocta-1,7-diene?
The canonical SMILES for 6-(1-ethoxyethoxy)-2,6-dimethylocta-1,7-diene is C=CC(C)(CCCC(=C)C)OC(C)OCC.
What is the InChIKey of 6-(1-ethoxyethoxy)-2,6-dimethylocta-1,7-diene?
The InChIKey is NCBYDABGWVXXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-7-14(6,11-9-10-12(3)4)16-13(5)15-8-2/h7,13H,1,3,8-11H2,2,4-6H3.
What are the key properties of 6-(1-ethoxyethoxy)-2,6-dimethylocta-1,7-diene?
6-(1-ethoxyethoxy)-2,6-dimethylocta-1,7-diene has a molecular weight of 226.36 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethoxyethoxy)-2,6-dimethylocta-1,7-diene is sourced from PubChem (CID 57477009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).