ethyl 3-hydroxytridecanoate

C15H30O3 — CID 575914

IUPACethyl 3-hydroxytridecanoate
SMILESCCCCCCCCCCC(O)CC(=O)OCC
InChIInChI=1S/C15H30O3/c1-3-5-6-7-8-9-10-11-12-14(16)13-15(17)18-4-2/h14,16H,3-13H2,1-2H3
InChIKeyLOFDGMSAUOHYLH-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.83
Rot. Bonds12

About ethyl 3-hydroxytridecanoate

ethyl 3-hydroxytridecanoate (PubChem CID 575914) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is ethyl 3-hydroxytridecanoate.

Molecular Properties

Compound Nameethyl 3-hydroxytridecanoate
PubChem CID575914
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Nameethyl 3-hydroxytridecanoate
SMILESCCCCCCCCCCC(O)CC(=O)OCC
InChIInChI=1S/C15H30O3/c1-3-5-6-7-8-9-10-11-12-14(16)13-15(17)18-4-2/h14,16H,3-13H2,1-2H3
InChIKeyLOFDGMSAUOHYLH-UHFFFAOYSA-N
XLogP3.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.83
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-hydroxytridecanoate?
The IUPAC name of ethyl 3-hydroxytridecanoate (CID 575914) is ethyl 3-hydroxytridecanoate.
What is the SMILES notation for ethyl 3-hydroxytridecanoate?
The canonical SMILES for ethyl 3-hydroxytridecanoate is CCCCCCCCCCC(O)CC(=O)OCC.
What is the InChIKey of ethyl 3-hydroxytridecanoate?
The InChIKey is LOFDGMSAUOHYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-3-5-6-7-8-9-10-11-12-14(16)13-15(17)18-4-2/h14,16H,3-13H2,1-2H3.
What are the key properties of ethyl 3-hydroxytridecanoate?
ethyl 3-hydroxytridecanoate has a molecular weight of 258.40 g/mol, XLogP of 3.83, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxytridecanoate is sourced from PubChem (CID 575914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).