ethyl (2R,3S)-2,3-dihydroxydecanoate

C12H24O4 — CID 11107207

IUPACethyl (2R,3S)-2,3-dihydroxydecanoate
SMILESCCCCCCC[C@H](O)[C@@H](O)C(=O)OCC
InChIInChI=1S/C12H24O4/c1-3-5-6-7-8-9-10(13)11(14)12(15)16-4-2/h10-11,13-14H,3-9H2,1-2H3/t10-,11+/m0/s1
InChIKeySVXYANPMEJGIEW-WDEREUQCSA-N
MW232.32 g/mol
LogP1.63
Rot. Bonds9

About ethyl (2R,3S)-2,3-dihydroxydecanoate

ethyl (2R,3S)-2,3-dihydroxydecanoate (PubChem CID 11107207) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is ethyl (2R,3S)-2,3-dihydroxydecanoate.

Molecular Properties

Compound Nameethyl (2R,3S)-2,3-dihydroxydecanoate
PubChem CID11107207
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Nameethyl (2R,3S)-2,3-dihydroxydecanoate
SMILESCCCCCCC[C@H](O)[C@@H](O)C(=O)OCC
InChIInChI=1S/C12H24O4/c1-3-5-6-7-8-9-10(13)11(14)12(15)16-4-2/h10-11,13-14H,3-9H2,1-2H3/t10-,11+/m0/s1
InChIKeySVXYANPMEJGIEW-WDEREUQCSA-N
XLogP1.63
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

propyl 2,3-dihydroxyoctadecanoate
CID 87250808
2,3-dihydroxynonadecanoyl 2,3-dihydroxynonadecanoate
CID 87065698
methyl (2S,3R)-2,3-dihydroxydodecanoate
CID 11806949
methyl (2S,3R)-2,3-dihydroxyhexadecanoate
CID 101007980
diethyl (2S,3R)-2-hydroxy-3-tetracosylbutanedioate
CID 57333842
ethyl (2R,3R)-2-amino-3-hydroxyhexadecanoate
CID 11638254
ethyl 3-hydroxy-2-octyltetradecanoate
CID 175541999
ethyl (2S,3S)-2-bromo-3-hydroxydecanoate
CID 121010928
ethyl (2S,3S)-3-chloro-2-hydroxynonanoate
CID 10421641
propyl (Z)-2,3-dihydroxyoctadec-9-enoate
CID 141431961
ethyl 3-hydroxy-2-propan-2-yldecanoate
CID 15441038
ethyl (2S)-2-hydroxytetracosanoate
CID 98049873

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-2,3-dihydroxydecanoate?
The IUPAC name of ethyl (2R,3S)-2,3-dihydroxydecanoate (CID 11107207) is ethyl (2R,3S)-2,3-dihydroxydecanoate.
What is the SMILES notation for ethyl (2R,3S)-2,3-dihydroxydecanoate?
The canonical SMILES for ethyl (2R,3S)-2,3-dihydroxydecanoate is CCCCCCC[C@H](O)[C@@H](O)C(=O)OCC.
What is the InChIKey of ethyl (2R,3S)-2,3-dihydroxydecanoate?
The InChIKey is SVXYANPMEJGIEW-WDEREUQCSA-N. The full InChI is InChI=1S/C12H24O4/c1-3-5-6-7-8-9-10(13)11(14)12(15)16-4-2/h10-11,13-14H,3-9H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of ethyl (2R,3S)-2,3-dihydroxydecanoate?
ethyl (2R,3S)-2,3-dihydroxydecanoate has a molecular weight of 232.32 g/mol, XLogP of 1.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-2,3-dihydroxydecanoate is sourced from PubChem (CID 11107207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).