[(E,2S)-tridec-10-en-2-yl] acetate

C15H28O2 — CID 11791320

IUPAC[(E,2S)-tridec-10-en-2-yl] acetate
SMILESCC/C=C/CCCCCCC[C@H](C)OC(C)=O
InChIInChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-11-12-13-14(2)17-15(3)16/h5-6,14H,4,7-13H2,1-3H3/b6-5+/t14-/m0/s1
InChIKeyODYRZHQNAYMELI-GJBLVYBDSA-N
MW240.39 g/mol
LogP4.63
Rot. Bonds10

About [(E,2S)-tridec-10-en-2-yl] acetate

[(E,2S)-tridec-10-en-2-yl] acetate (PubChem CID 11791320) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is [(E,2S)-tridec-10-en-2-yl] acetate.

Molecular Properties

Compound Name[(E,2S)-tridec-10-en-2-yl] acetate
PubChem CID11791320
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name[(E,2S)-tridec-10-en-2-yl] acetate
SMILESCC/C=C/CCCCCCC[C@H](C)OC(C)=O
InChIInChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-11-12-13-14(2)17-15(3)16/h5-6,14H,4,7-13H2,1-3H3/b6-5+/t14-/m0/s1
InChIKeyODYRZHQNAYMELI-GJBLVYBDSA-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'}

Analyze [(E,2S)-tridec-10-en-2-yl] 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 [(E,2S)-tridec-10-en-2-yl] acetate?
The IUPAC name of [(E,2S)-tridec-10-en-2-yl] acetate (CID 11791320) is [(E,2S)-tridec-10-en-2-yl] acetate.
What is the SMILES notation for [(E,2S)-tridec-10-en-2-yl] acetate?
The canonical SMILES for [(E,2S)-tridec-10-en-2-yl] acetate is CC/C=C/CCCCCCC[C@H](C)OC(C)=O.
What is the InChIKey of [(E,2S)-tridec-10-en-2-yl] acetate?
The InChIKey is ODYRZHQNAYMELI-GJBLVYBDSA-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/h5-6,14H,4,7-13H2,1-3H3/b6-5+/t14-/m0/s1.
What are the key properties of [(E,2S)-tridec-10-en-2-yl] acetate?
[(E,2S)-tridec-10-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,2S)-tridec-10-en-2-yl] acetate is sourced from PubChem (CID 11791320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).