methyl 4-oxo-2-prop-2-enyldecanoate

C14H24O3 — CID 15046989

IUPACmethyl 4-oxo-2-prop-2-enyldecanoate
SMILESC=CCC(CC(=O)CCCCCC)C(=O)OC
InChIInChI=1S/C14H24O3/c1-4-6-7-8-10-13(15)11-12(9-5-2)14(16)17-3/h5,12H,2,4,6-11H2,1,3H3
InChIKeyWAFFARMZIKCLHF-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.28
Rot. Bonds10

About methyl 4-oxo-2-prop-2-enyldecanoate

methyl 4-oxo-2-prop-2-enyldecanoate (PubChem CID 15046989) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is methyl 4-oxo-2-prop-2-enyldecanoate.

Molecular Properties

Compound Namemethyl 4-oxo-2-prop-2-enyldecanoate
PubChem CID15046989
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Namemethyl 4-oxo-2-prop-2-enyldecanoate
SMILESC=CCC(CC(=O)CCCCCC)C(=O)OC
InChIInChI=1S/C14H24O3/c1-4-6-7-8-10-13(15)11-12(9-5-2)14(16)17-3/h5,12H,2,4,6-11H2,1,3H3
InChIKeyWAFFARMZIKCLHF-UHFFFAOYSA-N
XLogP3.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl 4-oxo-2-prop-2-enyldecanoate?
The IUPAC name of methyl 4-oxo-2-prop-2-enyldecanoate (CID 15046989) is methyl 4-oxo-2-prop-2-enyldecanoate.
What is the SMILES notation for methyl 4-oxo-2-prop-2-enyldecanoate?
The canonical SMILES for methyl 4-oxo-2-prop-2-enyldecanoate is C=CCC(CC(=O)CCCCCC)C(=O)OC.
What is the InChIKey of methyl 4-oxo-2-prop-2-enyldecanoate?
The InChIKey is WAFFARMZIKCLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-4-6-7-8-10-13(15)11-12(9-5-2)14(16)17-3/h5,12H,2,4,6-11H2,1,3H3.
What are the key properties of methyl 4-oxo-2-prop-2-enyldecanoate?
methyl 4-oxo-2-prop-2-enyldecanoate has a molecular weight of 240.34 g/mol, XLogP of 3.28, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-2-prop-2-enyldecanoate is sourced from PubChem (CID 15046989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).