ethyl 3-hydroxyundecanoate

C13H26O3 — CID 13113181

IUPACethyl 3-hydroxyundecanoate
SMILESCCCCCCCCC(O)CC(=O)OCC
InChIInChI=1S/C13H26O3/c1-3-5-6-7-8-9-10-12(14)11-13(15)16-4-2/h12,14H,3-11H2,1-2H3
InChIKeyYFMDYRSJKCQYQN-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.05
Rot. Bonds10

About ethyl 3-hydroxyundecanoate

ethyl 3-hydroxyundecanoate (PubChem CID 13113181) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is ethyl 3-hydroxyundecanoate.

Molecular Properties

Compound Nameethyl 3-hydroxyundecanoate
PubChem CID13113181
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Nameethyl 3-hydroxyundecanoate
SMILESCCCCCCCCC(O)CC(=O)OCC
InChIInChI=1S/C13H26O3/c1-3-5-6-7-8-9-10-12(14)11-13(15)16-4-2/h12,14H,3-11H2,1-2H3
InChIKeyYFMDYRSJKCQYQN-UHFFFAOYSA-N
XLogP3.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-hydroxyundecanoate?
The IUPAC name of ethyl 3-hydroxyundecanoate (CID 13113181) is ethyl 3-hydroxyundecanoate.
What is the SMILES notation for ethyl 3-hydroxyundecanoate?
The canonical SMILES for ethyl 3-hydroxyundecanoate is CCCCCCCCC(O)CC(=O)OCC.
What is the InChIKey of ethyl 3-hydroxyundecanoate?
The InChIKey is YFMDYRSJKCQYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-3-5-6-7-8-9-10-12(14)11-13(15)16-4-2/h12,14H,3-11H2,1-2H3.
What are the key properties of ethyl 3-hydroxyundecanoate?
ethyl 3-hydroxyundecanoate has a molecular weight of 230.35 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxyundecanoate is sourced from PubChem (CID 13113181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).