ethenyl undec-10-enoate

C13H22O2 — CID 544393

IUPACethenyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OC=C
InChIInChI=1S/C13H22O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-4H,1-2,5-12H2
InChIKeyHUGGPHJJSYXCDJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.98
Rot. Bonds10

About ethenyl undec-10-enoate

ethenyl undec-10-enoate (PubChem CID 544393) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is ethenyl undec-10-enoate.

Molecular Properties

Compound Nameethenyl undec-10-enoate
PubChem CID544393
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Nameethenyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OC=C
InChIInChI=1S/C13H22O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-4H,1-2,5-12H2
InChIKeyHUGGPHJJSYXCDJ-UHFFFAOYSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.98
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl undec-10-enoate?
The IUPAC name of ethenyl undec-10-enoate (CID 544393) is ethenyl undec-10-enoate.
What is the SMILES notation for ethenyl undec-10-enoate?
The canonical SMILES for ethenyl undec-10-enoate is C=CCCCCCCCCC(=O)OC=C.
What is the InChIKey of ethenyl undec-10-enoate?
The InChIKey is HUGGPHJJSYXCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-4H,1-2,5-12H2.
What are the key properties of ethenyl undec-10-enoate?
ethenyl undec-10-enoate has a molecular weight of 210.32 g/mol, XLogP of 3.98, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl undec-10-enoate is sourced from PubChem (CID 544393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).