7-ethoxycarbonyloxynon-8-enyl acetate

C14H24O5 — CID 20765114

IUPAC7-ethoxycarbonyloxynon-8-enyl acetate
SMILESC=CC(CCCCCCOC(C)=O)OC(=O)OCC
InChIInChI=1S/C14H24O5/c1-4-13(19-14(16)17-5-2)10-8-6-7-9-11-18-12(3)15/h4,13H,1,5-11H2,2-3H3
InChIKeyGXTQCYKUERQHIJ-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.23
Rot. Bonds10

About 7-ethoxycarbonyloxynon-8-enyl acetate

7-ethoxycarbonyloxynon-8-enyl acetate (PubChem CID 20765114) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is 7-ethoxycarbonyloxynon-8-enyl acetate.

Molecular Properties

Compound Name7-ethoxycarbonyloxynon-8-enyl acetate
PubChem CID20765114
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name7-ethoxycarbonyloxynon-8-enyl acetate
SMILESC=CC(CCCCCCOC(C)=O)OC(=O)OCC
InChIInChI=1S/C14H24O5/c1-4-13(19-14(16)17-5-2)10-8-6-7-9-11-18-12(3)15/h4,13H,1,5-11H2,2-3H3
InChIKeyGXTQCYKUERQHIJ-UHFFFAOYSA-N
XLogP3.23
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-ethoxycarbonyloxynon-8-enyl acetate 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 7-ethoxycarbonyloxynon-8-enyl acetate?
The IUPAC name of 7-ethoxycarbonyloxynon-8-enyl acetate (CID 20765114) is 7-ethoxycarbonyloxynon-8-enyl acetate.
What is the SMILES notation for 7-ethoxycarbonyloxynon-8-enyl acetate?
The canonical SMILES for 7-ethoxycarbonyloxynon-8-enyl acetate is C=CC(CCCCCCOC(C)=O)OC(=O)OCC.
What is the InChIKey of 7-ethoxycarbonyloxynon-8-enyl acetate?
The InChIKey is GXTQCYKUERQHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-4-13(19-14(16)17-5-2)10-8-6-7-9-11-18-12(3)15/h4,13H,1,5-11H2,2-3H3.
What are the key properties of 7-ethoxycarbonyloxynon-8-enyl acetate?
7-ethoxycarbonyloxynon-8-enyl acetate has a molecular weight of 272.34 g/mol, XLogP of 3.23, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxycarbonyloxynon-8-enyl acetate is sourced from PubChem (CID 20765114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).