ethyl undec-10-enoate

C13H24O2 — CID 12729

IUPACethyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OCC
InChIInChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3H,1,4-12H2,2H3
InChIKeyFXNFFCMITPHEIT-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.86
Rot. Bonds10

About ethyl undec-10-enoate

ethyl undec-10-enoate (PubChem CID 12729) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is ethyl undec-10-enoate.

Molecular Properties

Compound Nameethyl undec-10-enoate
PubChem CID12729
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Nameethyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OCC
InChIInChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3H,1,4-12H2,2H3
InChIKeyFXNFFCMITPHEIT-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl undec-10-enoate?
The IUPAC name of ethyl undec-10-enoate (CID 12729) is ethyl undec-10-enoate.
What is the SMILES notation for ethyl undec-10-enoate?
The canonical SMILES for ethyl undec-10-enoate is C=CCCCCCCCCC(=O)OCC.
What is the InChIKey of ethyl undec-10-enoate?
The InChIKey is FXNFFCMITPHEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3H,1,4-12H2,2H3.
What are the key properties of ethyl undec-10-enoate?
ethyl undec-10-enoate has a molecular weight of 212.33 g/mol, XLogP of 3.86, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl undec-10-enoate is sourced from PubChem (CID 12729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).