[(E)-2-methylnon-2-enyl] propanoate

C13H24O2 — CID 6261926

IUPAC[(E)-2-methylnon-2-enyl] propanoate
SMILESCCCCCC/C=C(\C)COC(=O)CC
InChIInChI=1S/C13H24O2/c1-4-6-7-8-9-10-12(3)11-15-13(14)5-2/h10H,4-9,11H2,1-3H3/b12-10+
InChIKeyWERYNZAGVCKEMT-ZRDIBKRKSA-N
MW212.33 g/mol
LogP3.86
Rot. Bonds8

About [(E)-2-methylnon-2-enyl] propanoate

[(E)-2-methylnon-2-enyl] propanoate (PubChem CID 6261926) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is [(E)-2-methylnon-2-enyl] propanoate.

Molecular Properties

Compound Name[(E)-2-methylnon-2-enyl] propanoate
PubChem CID6261926
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name[(E)-2-methylnon-2-enyl] propanoate
SMILESCCCCCC/C=C(\C)COC(=O)CC
InChIInChI=1S/C13H24O2/c1-4-6-7-8-9-10-12(3)11-15-13(14)5-2/h10H,4-9,11H2,1-3H3/b12-10+
InChIKeyWERYNZAGVCKEMT-ZRDIBKRKSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.86
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)-2-methylnon-2-enyl] propanoate 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)-2-methylnon-2-enyl] propanoate?
The IUPAC name of [(E)-2-methylnon-2-enyl] propanoate (CID 6261926) is [(E)-2-methylnon-2-enyl] propanoate.
What is the SMILES notation for [(E)-2-methylnon-2-enyl] propanoate?
The canonical SMILES for [(E)-2-methylnon-2-enyl] propanoate is CCCCCC/C=C(\C)COC(=O)CC.
What is the InChIKey of [(E)-2-methylnon-2-enyl] propanoate?
The InChIKey is WERYNZAGVCKEMT-ZRDIBKRKSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-6-7-8-9-10-12(3)11-15-13(14)5-2/h10H,4-9,11H2,1-3H3/b12-10+.
What are the key properties of [(E)-2-methylnon-2-enyl] propanoate?
[(E)-2-methylnon-2-enyl] propanoate has a molecular weight of 212.33 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-methylnon-2-enyl] propanoate is sourced from PubChem (CID 6261926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).