[(2R)-2-hydroxy-4-oxodecyl] acetate

C12H22O4 — CID 57401919

IUPAC[(2R)-2-hydroxy-4-oxodecyl] acetate
SMILESCCCCCCC(=O)C[C@@H](O)COC(C)=O
InChIInChI=1S/C12H22O4/c1-3-4-5-6-7-11(14)8-12(15)9-16-10(2)13/h12,15H,3-9H2,1-2H3/t12-/m1/s1
InChIKeyMPQANOBFBLMBGR-GFCCVEGCSA-N
MW230.30 g/mol
LogP1.84
Rot. Bonds9

About [(2R)-2-hydroxy-4-oxodecyl] acetate

[(2R)-2-hydroxy-4-oxodecyl] acetate (PubChem CID 57401919) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is [(2R)-2-hydroxy-4-oxodecyl] acetate.

Molecular Properties

Compound Name[(2R)-2-hydroxy-4-oxodecyl] acetate
PubChem CID57401919
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name[(2R)-2-hydroxy-4-oxodecyl] acetate
SMILESCCCCCCC(=O)C[C@@H](O)COC(C)=O
InChIInChI=1S/C12H22O4/c1-3-4-5-6-7-11(14)8-12(15)9-16-10(2)13/h12,15H,3-9H2,1-2H3/t12-/m1/s1
InChIKeyMPQANOBFBLMBGR-GFCCVEGCSA-N
XLogP1.84
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [(2R)-2-hydroxy-4-oxodecyl] acetate?
The IUPAC name of [(2R)-2-hydroxy-4-oxodecyl] acetate (CID 57401919) is [(2R)-2-hydroxy-4-oxodecyl] acetate.
What is the SMILES notation for [(2R)-2-hydroxy-4-oxodecyl] acetate?
The canonical SMILES for [(2R)-2-hydroxy-4-oxodecyl] acetate is CCCCCCC(=O)C[C@@H](O)COC(C)=O.
What is the InChIKey of [(2R)-2-hydroxy-4-oxodecyl] acetate?
The InChIKey is MPQANOBFBLMBGR-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H22O4/c1-3-4-5-6-7-11(14)8-12(15)9-16-10(2)13/h12,15H,3-9H2,1-2H3/t12-/m1/s1.
What are the key properties of [(2R)-2-hydroxy-4-oxodecyl] acetate?
[(2R)-2-hydroxy-4-oxodecyl] acetate has a molecular weight of 230.30 g/mol, XLogP of 1.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-4-oxodecyl] acetate is sourced from PubChem (CID 57401919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).