ethyl (3S)-3-hydroxydecanoate

C12H24O3 — CID 13023958

IUPACethyl (3S)-3-hydroxydecanoate
SMILESCCCCCCC[C@H](O)CC(=O)OCC
InChIInChI=1S/C12H24O3/c1-3-5-6-7-8-9-11(13)10-12(14)15-4-2/h11,13H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyNOAJFMNAQIUPEX-NSHDSACASA-N
MW216.32 g/mol
LogP2.66
Rot. Bonds9

About ethyl (3S)-3-hydroxydecanoate

ethyl (3S)-3-hydroxydecanoate (PubChem CID 13023958) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is ethyl (3S)-3-hydroxydecanoate.

Molecular Properties

Compound Nameethyl (3S)-3-hydroxydecanoate
PubChem CID13023958
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Nameethyl (3S)-3-hydroxydecanoate
SMILESCCCCCCC[C@H](O)CC(=O)OCC
InChIInChI=1S/C12H24O3/c1-3-5-6-7-8-9-11(13)10-12(14)15-4-2/h11,13H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyNOAJFMNAQIUPEX-NSHDSACASA-N
XLogP2.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.66
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 (3S)-3-hydroxydecanoate?
The IUPAC name of ethyl (3S)-3-hydroxydecanoate (CID 13023958) is ethyl (3S)-3-hydroxydecanoate.
What is the SMILES notation for ethyl (3S)-3-hydroxydecanoate?
The canonical SMILES for ethyl (3S)-3-hydroxydecanoate is CCCCCCC[C@H](O)CC(=O)OCC.
What is the InChIKey of ethyl (3S)-3-hydroxydecanoate?
The InChIKey is NOAJFMNAQIUPEX-NSHDSACASA-N. The full InChI is InChI=1S/C12H24O3/c1-3-5-6-7-8-9-11(13)10-12(14)15-4-2/h11,13H,3-10H2,1-2H3/t11-/m0/s1.
What are the key properties of ethyl (3S)-3-hydroxydecanoate?
ethyl (3S)-3-hydroxydecanoate has a molecular weight of 216.32 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-hydroxydecanoate is sourced from PubChem (CID 13023958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).