[(E)-dec-1-enyl] propanoate

C13H24O2 — CID 57485839

IUPAC[(E)-dec-1-enyl] propanoate
SMILESCCCCCCCC/C=C/OC(=O)CC
InChIInChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h11-12H,3-10H2,1-2H3/b12-11+
InChIKeyNDUXXUPQLZKJJR-VAWYXSNFSA-N
MW212.33 g/mol
LogP4.20
Rot. Bonds9

About [(E)-dec-1-enyl] propanoate

[(E)-dec-1-enyl] propanoate (PubChem CID 57485839) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is [(E)-dec-1-enyl] propanoate.

Molecular Properties

Compound Name[(E)-dec-1-enyl] propanoate
PubChem CID57485839
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name[(E)-dec-1-enyl] propanoate
SMILESCCCCCCCC/C=C/OC(=O)CC
InChIInChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h11-12H,3-10H2,1-2H3/b12-11+
InChIKeyNDUXXUPQLZKJJR-VAWYXSNFSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-dec-1-enyl] propanoate?
The IUPAC name of [(E)-dec-1-enyl] propanoate (CID 57485839) is [(E)-dec-1-enyl] propanoate.
What is the SMILES notation for [(E)-dec-1-enyl] propanoate?
The canonical SMILES for [(E)-dec-1-enyl] propanoate is CCCCCCCC/C=C/OC(=O)CC.
What is the InChIKey of [(E)-dec-1-enyl] propanoate?
The InChIKey is NDUXXUPQLZKJJR-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h11-12H,3-10H2,1-2H3/b12-11+.
What are the key properties of [(E)-dec-1-enyl] propanoate?
[(E)-dec-1-enyl] propanoate has a molecular weight of 212.33 g/mol, XLogP of 4.20, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dec-1-enyl] propanoate is sourced from PubChem (CID 57485839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).