[(E)-tridec-8-en-2-yl] acetate

C15H28O2 — CID 5352505

IUPAC[(E)-tridec-8-en-2-yl] acetate
SMILESCCCC/C=C/CCCCCC(C)OC(C)=O
InChIInChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-11-12-13-14(2)17-15(3)16/h7-8,14H,4-6,9-13H2,1-3H3/b8-7+
InChIKeyQDZBELUTZNZRTH-BQYQJAHWSA-N
MW240.39 g/mol
LogP4.63
Rot. Bonds10

About [(E)-tridec-8-en-2-yl] acetate

[(E)-tridec-8-en-2-yl] acetate (PubChem CID 5352505) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is [(E)-tridec-8-en-2-yl] acetate.

Molecular Properties

Compound Name[(E)-tridec-8-en-2-yl] acetate
PubChem CID5352505
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name[(E)-tridec-8-en-2-yl] acetate
SMILESCCCC/C=C/CCCCCC(C)OC(C)=O
InChIInChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-11-12-13-14(2)17-15(3)16/h7-8,14H,4-6,9-13H2,1-3H3/b8-7+
InChIKeyQDZBELUTZNZRTH-BQYQJAHWSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-tridec-8-en-2-yl] acetate?
The IUPAC name of [(E)-tridec-8-en-2-yl] acetate (CID 5352505) is [(E)-tridec-8-en-2-yl] acetate.
What is the SMILES notation for [(E)-tridec-8-en-2-yl] acetate?
The canonical SMILES for [(E)-tridec-8-en-2-yl] acetate is CCCC/C=C/CCCCCC(C)OC(C)=O.
What is the InChIKey of [(E)-tridec-8-en-2-yl] acetate?
The InChIKey is QDZBELUTZNZRTH-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-11-12-13-14(2)17-15(3)16/h7-8,14H,4-6,9-13H2,1-3H3/b8-7+.
What are the key properties of [(E)-tridec-8-en-2-yl] acetate?
[(E)-tridec-8-en-2-yl] acetate has a molecular weight of 240.39 g/mol, XLogP of 4.63, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-tridec-8-en-2-yl] acetate is sourced from PubChem (CID 5352505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).