ethyl decanoate

C12H24O2 — CID 8048

IUPACethyl decanoate
SMILESCCCCCCCCCC(=O)OCC
InChIInChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3
InChIKeyRGXWDWUGBIJHDO-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.69
Rot. Bonds9

About ethyl decanoate

ethyl decanoate (PubChem CID 8048) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is ethyl decanoate.

Molecular Properties

Compound Nameethyl decanoate
PubChem CID8048
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Nameethyl decanoate
SMILESCCCCCCCCCC(=O)OCC
InChIInChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3
InChIKeyRGXWDWUGBIJHDO-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl decanoate?
The IUPAC name of ethyl decanoate (CID 8048) is ethyl decanoate.
What is the SMILES notation for ethyl decanoate?
The canonical SMILES for ethyl decanoate is CCCCCCCCCC(=O)OCC.
What is the InChIKey of ethyl decanoate?
The InChIKey is RGXWDWUGBIJHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3.
What are the key properties of ethyl decanoate?
ethyl decanoate has a molecular weight of 200.32 g/mol, XLogP of 3.69, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl decanoate is sourced from PubChem (CID 8048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).