3-(1-ethoxyethoxy)-2,4,7-trimethylocta-1,6-diene

C15H28O2 — CID 121396018

IUPAC3-(1-ethoxyethoxy)-2,4,7-trimethylocta-1,6-diene
SMILESC=C(C)C(OC(C)OCC)C(C)CC=C(C)C
InChIInChI=1S/C15H28O2/c1-8-16-14(7)17-15(12(4)5)13(6)10-9-11(2)3/h9,13-15H,4,8,10H2,1-3,5-7H3
InChIKeyPPYHBXUNUIIXDI-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.32
Rot. Bonds8

About 3-(1-ethoxyethoxy)-2,4,7-trimethylocta-1,6-diene

3-(1-ethoxyethoxy)-2,4,7-trimethylocta-1,6-diene (PubChem CID 121396018) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-(1-ethoxyethoxy)-2,4,7-trimethylocta-1,6-diene.

Molecular Properties

Compound Name3-(1-ethoxyethoxy)-2,4,7-trimethylocta-1,6-diene
PubChem CID121396018
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name3-(1-ethoxyethoxy)-2,4,7-trimethylocta-1,6-diene
SMILESC=C(C)C(OC(C)OCC)C(C)CC=C(C)C
InChIInChI=1S/C15H28O2/c1-8-16-14(7)17-15(12(4)5)13(6)10-9-11(2)3/h9,13-15H,4,8,10H2,1-3,5-7H3
InChIKeyPPYHBXUNUIIXDI-UHFFFAOYSA-N
XLogP4.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.32
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 3-(1-ethoxyethoxy)-2,4,7-trimethylocta-1,6-diene?
The IUPAC name of 3-(1-ethoxyethoxy)-2,4,7-trimethylocta-1,6-diene (CID 121396018) is 3-(1-ethoxyethoxy)-2,4,7-trimethylocta-1,6-diene.
What is the SMILES notation for 3-(1-ethoxyethoxy)-2,4,7-trimethylocta-1,6-diene?
The canonical SMILES for 3-(1-ethoxyethoxy)-2,4,7-trimethylocta-1,6-diene is C=C(C)C(OC(C)OCC)C(C)CC=C(C)C.
What is the InChIKey of 3-(1-ethoxyethoxy)-2,4,7-trimethylocta-1,6-diene?
The InChIKey is PPYHBXUNUIIXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-8-16-14(7)17-15(12(4)5)13(6)10-9-11(2)3/h9,13-15H,4,8,10H2,1-3,5-7H3.
What are the key properties of 3-(1-ethoxyethoxy)-2,4,7-trimethylocta-1,6-diene?
3-(1-ethoxyethoxy)-2,4,7-trimethylocta-1,6-diene has a molecular weight of 240.39 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethoxy)-2,4,7-trimethylocta-1,6-diene is sourced from PubChem (CID 121396018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).