(1-hydroxy-2-oxopropyl) decanoate

C13H24O4 — CID 173472783

IUPAC(1-hydroxy-2-oxopropyl) 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/h13,16H,3-10H2,1-2H3
InChIKeyAJVLGEWSOQBQSL-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.58
Rot. Bonds10

About (1-hydroxy-2-oxopropyl) decanoate

(1-hydroxy-2-oxopropyl) decanoate (PubChem CID 173472783) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is (1-hydroxy-2-oxopropyl) decanoate.

Molecular Properties

Compound Name(1-hydroxy-2-oxopropyl) decanoate
PubChem CID173472783
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name(1-hydroxy-2-oxopropyl) 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/h13,16H,3-10H2,1-2H3
InChIKeyAJVLGEWSOQBQSL-UHFFFAOYSA-N
XLogP2.58
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1-decanoyloxy-2-oxopropyl) decanoate
CID 87879463
dihydroxymethyl nonanoate
CID 118275765
1-hydroxyethyl hexadecanoate
CID 87454687
azane;dihydroxymethyl octadecanoate
CID 174373244
1-hydroxyethyl decanoate
CID 176884014
1-hydroxypropyl hexadecanoate
CID 20514368
1,1-dihydroxypropan-2-yl octadecanoate
CID 130277700
2,4-dimethylpentan-3-yl decanoate
CID 58052157
1-hydroxypropyl tetradecanoate
CID 20514336
1-hydroxypropyl icosanoate
CID 155673375
3-nonanoyloxybutan-2-yl nonanoate
CID 3050129
propan-2-yl undecanoate
CID 3016538

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2-oxopropyl) decanoate?
The IUPAC name of (1-hydroxy-2-oxopropyl) decanoate (CID 173472783) is (1-hydroxy-2-oxopropyl) decanoate.
What is the SMILES notation for (1-hydroxy-2-oxopropyl) decanoate?
The canonical SMILES for (1-hydroxy-2-oxopropyl) decanoate is CCCCCCCCCC(=O)OC(O)C(C)=O.
What is the InChIKey of (1-hydroxy-2-oxopropyl) decanoate?
The InChIKey is AJVLGEWSOQBQSL-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/h13,16H,3-10H2,1-2H3.
What are the key properties of (1-hydroxy-2-oxopropyl) decanoate?
(1-hydroxy-2-oxopropyl) decanoate has a molecular weight of 244.33 g/mol, XLogP of 2.58, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2-oxopropyl) decanoate is sourced from PubChem (CID 173472783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).