2-hydroxypropanoyl decanoate

C13H24O4 — CID 19800829

IUPAC2-hydroxypropanoyl decanoate
SMILESCCCCCCCCCC(=O)OC(=O)C(C)O
InChIInChI=1S/C13H24O4/c1-3-4-5-6-7-8-9-10-12(15)17-13(16)11(2)14/h11,14H,3-10H2,1-2H3
InChIKeyYXODKKVHIVZPFO-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.58
Rot. Bonds9

About 2-hydroxypropanoyl decanoate

2-hydroxypropanoyl decanoate (PubChem CID 19800829) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-hydroxypropanoyl decanoate.

Molecular Properties

Compound Name2-hydroxypropanoyl decanoate
PubChem CID19800829
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name2-hydroxypropanoyl decanoate
SMILESCCCCCCCCCC(=O)OC(=O)C(C)O
InChIInChI=1S/C13H24O4/c1-3-4-5-6-7-8-9-10-12(15)17-13(16)11(2)14/h11,14H,3-10H2,1-2H3
InChIKeyYXODKKVHIVZPFO-UHFFFAOYSA-N
XLogP2.58
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoyl decanoate?
The IUPAC name of 2-hydroxypropanoyl decanoate (CID 19800829) is 2-hydroxypropanoyl decanoate.
What is the SMILES notation for 2-hydroxypropanoyl decanoate?
The canonical SMILES for 2-hydroxypropanoyl decanoate is CCCCCCCCCC(=O)OC(=O)C(C)O.
What is the InChIKey of 2-hydroxypropanoyl decanoate?
The InChIKey is YXODKKVHIVZPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-3-4-5-6-7-8-9-10-12(15)17-13(16)11(2)14/h11,14H,3-10H2,1-2H3.
What are the key properties of 2-hydroxypropanoyl decanoate?
2-hydroxypropanoyl decanoate has a molecular weight of 244.33 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoyl decanoate is sourced from PubChem (CID 19800829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).