ethyl 3-hydroxydodecanoate

C14H28O3 — CID 575843

IUPACethyl 3-hydroxydodecanoate
SMILESCCCCCCCCCC(O)CC(=O)OCC
InChIInChI=1S/C14H28O3/c1-3-5-6-7-8-9-10-11-13(15)12-14(16)17-4-2/h13,15H,3-12H2,1-2H3
InChIKeyCQLRIUYMQWJYSR-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.44
Rot. Bonds11

About ethyl 3-hydroxydodecanoate

ethyl 3-hydroxydodecanoate (PubChem CID 575843) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is ethyl 3-hydroxydodecanoate.

Molecular Properties

Compound Nameethyl 3-hydroxydodecanoate
PubChem CID575843
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Nameethyl 3-hydroxydodecanoate
SMILESCCCCCCCCCC(O)CC(=O)OCC
InChIInChI=1S/C14H28O3/c1-3-5-6-7-8-9-10-11-13(15)12-14(16)17-4-2/h13,15H,3-12H2,1-2H3
InChIKeyCQLRIUYMQWJYSR-UHFFFAOYSA-N
XLogP3.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.44
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-hydroxydodecanoate?
The IUPAC name of ethyl 3-hydroxydodecanoate (CID 575843) is ethyl 3-hydroxydodecanoate.
What is the SMILES notation for ethyl 3-hydroxydodecanoate?
The canonical SMILES for ethyl 3-hydroxydodecanoate is CCCCCCCCCC(O)CC(=O)OCC.
What is the InChIKey of ethyl 3-hydroxydodecanoate?
The InChIKey is CQLRIUYMQWJYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-3-5-6-7-8-9-10-11-13(15)12-14(16)17-4-2/h13,15H,3-12H2,1-2H3.
What are the key properties of ethyl 3-hydroxydodecanoate?
ethyl 3-hydroxydodecanoate has a molecular weight of 244.37 g/mol, XLogP of 3.44, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxydodecanoate is sourced from PubChem (CID 575843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).