methyl (5R)-5-hydroxy-3-oxodecanoate

C11H20O4 — CID 66552453

IUPACmethyl (5R)-5-hydroxy-3-oxodecanoate
SMILESCCCCC[C@@H](O)CC(=O)CC(=O)OC
InChIInChI=1S/C11H20O4/c1-3-4-5-6-9(12)7-10(13)8-11(14)15-2/h9,12H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyGBIAYDBKQCOAMX-SECBINFHSA-N
MW216.28 g/mol
LogP1.45
Rot. Bonds8

About methyl (5R)-5-hydroxy-3-oxodecanoate

methyl (5R)-5-hydroxy-3-oxodecanoate (PubChem CID 66552453) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl (5R)-5-hydroxy-3-oxodecanoate.

Molecular Properties

Compound Namemethyl (5R)-5-hydroxy-3-oxodecanoate
PubChem CID66552453
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namemethyl (5R)-5-hydroxy-3-oxodecanoate
SMILESCCCCC[C@@H](O)CC(=O)CC(=O)OC
InChIInChI=1S/C11H20O4/c1-3-4-5-6-9(12)7-10(13)8-11(14)15-2/h9,12H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyGBIAYDBKQCOAMX-SECBINFHSA-N
XLogP1.45
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.45
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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Related Compounds

Methyl 5-hydroxydecanoate
CID 14029718
Ethyl 5-hydroxydecanoate
CID 13580494
5-Hydroxydecanoate
CID 1824
5-Hydroxydecanoic acid
CID 1825
Ethyl 5-hydroxyoctanoate
CID 6432923
Decarestrictine J
CID 10081493
5-Hydroxydodecanoic acid
CID 24520
Methyl (5S,6R)-5,6,7-trihydroxyheptanoate
CID 10899465
3,5-Dihydroxydecanoic acid
CID 44715204
(5S)-5-hydroxydecanoic acid
CID 6604110
Pandangolide 1a
CID 11687387
3,6-Epoxydecanedioic acid
CID 13220194

Frequently Asked Questions

What is the IUPAC name of methyl (5R)-5-hydroxy-3-oxodecanoate?
The IUPAC name of methyl (5R)-5-hydroxy-3-oxodecanoate (CID 66552453) is methyl (5R)-5-hydroxy-3-oxodecanoate.
What is the SMILES notation for methyl (5R)-5-hydroxy-3-oxodecanoate?
The canonical SMILES for methyl (5R)-5-hydroxy-3-oxodecanoate is CCCCC[C@@H](O)CC(=O)CC(=O)OC.
What is the InChIKey of methyl (5R)-5-hydroxy-3-oxodecanoate?
The InChIKey is GBIAYDBKQCOAMX-SECBINFHSA-N. The full InChI is InChI=1S/C11H20O4/c1-3-4-5-6-9(12)7-10(13)8-11(14)15-2/h9,12H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl (5R)-5-hydroxy-3-oxodecanoate?
methyl (5R)-5-hydroxy-3-oxodecanoate has a molecular weight of 216.28 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-5-hydroxy-3-oxodecanoate is sourced from PubChem (CID 66552453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).