7,9,9-triethoxynona-3,5-diene

C15H28O3 — CID 71440115

IUPAC7,9,9-triethoxynona-3,5-diene
SMILESCCC=CC=CC(CC(OCC)OCC)OCC
InChIInChI=1S/C15H28O3/c1-5-9-10-11-12-14(16-6-2)13-15(17-7-3)18-8-4/h9-12,14-15H,5-8,13H2,1-4H3
InChIKeyRTEIGGOBUZSFHU-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.70
Rot. Bonds11

About 7,9,9-triethoxynona-3,5-diene

7,9,9-triethoxynona-3,5-diene (PubChem CID 71440115) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 7,9,9-triethoxynona-3,5-diene.

Molecular Properties

Compound Name7,9,9-triethoxynona-3,5-diene
PubChem CID71440115
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name7,9,9-triethoxynona-3,5-diene
SMILESCCC=CC=CC(CC(OCC)OCC)OCC
InChIInChI=1S/C15H28O3/c1-5-9-10-11-12-14(16-6-2)13-15(17-7-3)18-8-4/h9-12,14-15H,5-8,13H2,1-4H3
InChIKeyRTEIGGOBUZSFHU-UHFFFAOYSA-N
XLogP3.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,9,9-triethoxynona-3,5-diene?
The IUPAC name of 7,9,9-triethoxynona-3,5-diene (CID 71440115) is 7,9,9-triethoxynona-3,5-diene.
What is the SMILES notation for 7,9,9-triethoxynona-3,5-diene?
The canonical SMILES for 7,9,9-triethoxynona-3,5-diene is CCC=CC=CC(CC(OCC)OCC)OCC.
What is the InChIKey of 7,9,9-triethoxynona-3,5-diene?
The InChIKey is RTEIGGOBUZSFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-5-9-10-11-12-14(16-6-2)13-15(17-7-3)18-8-4/h9-12,14-15H,5-8,13H2,1-4H3.
What are the key properties of 7,9,9-triethoxynona-3,5-diene?
7,9,9-triethoxynona-3,5-diene has a molecular weight of 256.39 g/mol, XLogP of 3.70, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9,9-triethoxynona-3,5-diene is sourced from PubChem (CID 71440115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).