[(E)-tridec-4-enyl] acetate

C15H28O2 — CID 5365748

IUPAC[(E)-tridec-4-enyl] acetate
SMILESCCCCCCCC/C=C/CCCOC(C)=O
InChIInChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h10-11H,3-9,12-14H2,1-2H3/b11-10+
InChIKeyDUCVQKMNGSZPAV-ZHACJKMWSA-N
MW240.39 g/mol
LogP4.64
Rot. Bonds11

About [(E)-tridec-4-enyl] acetate

[(E)-tridec-4-enyl] acetate (PubChem CID 5365748) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is [(E)-tridec-4-enyl] acetate.

Molecular Properties

Compound Name[(E)-tridec-4-enyl] acetate
PubChem CID5365748
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name[(E)-tridec-4-enyl] acetate
SMILESCCCCCCCC/C=C/CCCOC(C)=O
InChIInChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h10-11H,3-9,12-14H2,1-2H3/b11-10+
InChIKeyDUCVQKMNGSZPAV-ZHACJKMWSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.64
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-4-enyl] acetate?
The IUPAC name of [(E)-tridec-4-enyl] acetate (CID 5365748) is [(E)-tridec-4-enyl] acetate.
What is the SMILES notation for [(E)-tridec-4-enyl] acetate?
The canonical SMILES for [(E)-tridec-4-enyl] acetate is CCCCCCCC/C=C/CCCOC(C)=O.
What is the InChIKey of [(E)-tridec-4-enyl] acetate?
The InChIKey is DUCVQKMNGSZPAV-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h10-11H,3-9,12-14H2,1-2H3/b11-10+.
What are the key properties of [(E)-tridec-4-enyl] acetate?
[(E)-tridec-4-enyl] acetate has a molecular weight of 240.39 g/mol, XLogP of 4.64, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-tridec-4-enyl] acetate is sourced from PubChem (CID 5365748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).