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

C14H26O2 — CID 19693164

IUPAC[(E)-undec-1-enyl] propanoate
SMILESCCCCCCCCC/C=C/OC(=O)CC
InChIInChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13-16-14(15)4-2/h12-13H,3-11H2,1-2H3/b13-12+
InChIKeyNDFVTHNBTQATJT-OUKQBFOZSA-N
MW226.36 g/mol
LogP4.59
Rot. Bonds10

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

[(E)-undec-1-enyl] propanoate (PubChem CID 19693164) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is [(E)-undec-1-enyl] propanoate.

Molecular Properties

Compound Name[(E)-undec-1-enyl] propanoate
PubChem CID19693164
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name[(E)-undec-1-enyl] propanoate
SMILESCCCCCCCCC/C=C/OC(=O)CC
InChIInChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13-16-14(15)4-2/h12-13H,3-11H2,1-2H3/b13-12+
InChIKeyNDFVTHNBTQATJT-OUKQBFOZSA-N
XLogP4.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.59
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)-undec-1-enyl] propanoate?
The IUPAC name of [(E)-undec-1-enyl] propanoate (CID 19693164) is [(E)-undec-1-enyl] propanoate.
What is the SMILES notation for [(E)-undec-1-enyl] propanoate?
The canonical SMILES for [(E)-undec-1-enyl] propanoate is CCCCCCCCC/C=C/OC(=O)CC.
What is the InChIKey of [(E)-undec-1-enyl] propanoate?
The InChIKey is NDFVTHNBTQATJT-OUKQBFOZSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13-16-14(15)4-2/h12-13H,3-11H2,1-2H3/b13-12+.
What are the key properties of [(E)-undec-1-enyl] propanoate?
[(E)-undec-1-enyl] propanoate has a molecular weight of 226.36 g/mol, XLogP of 4.59, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-undec-1-enyl] propanoate is sourced from PubChem (CID 19693164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).