ethyl 3-hydroxy-2-octyltetradecanoate

C24H48O3 — CID 175541999

IUPACethyl 3-hydroxy-2-octyltetradecanoate
SMILESCCCCCCCCCCCC(O)C(CCCCCCCC)C(=O)OCC
InChIInChI=1S/C24H48O3/c1-4-7-9-11-13-14-15-17-19-21-23(25)22(24(26)27-6-3)20-18-16-12-10-8-5-2/h22-23,25H,4-21H2,1-3H3
InChIKeyUHZQLHVWEFPLHH-UHFFFAOYSA-N
MW384.65 g/mol
LogP7.20
Rot. Bonds20

About ethyl 3-hydroxy-2-octyltetradecanoate

ethyl 3-hydroxy-2-octyltetradecanoate (PubChem CID 175541999) has the molecular formula C24H48O3 and a molecular weight of 384.65 g/mol. Its IUPAC name is ethyl 3-hydroxy-2-octyltetradecanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-2-octyltetradecanoate
PubChem CID175541999
Molecular FormulaC24H48O3
Molecular Weight384.65 g/mol
Exact Mass384.36
IUPAC Nameethyl 3-hydroxy-2-octyltetradecanoate
SMILESCCCCCCCCCCCC(O)C(CCCCCCCC)C(=O)OCC
InChIInChI=1S/C24H48O3/c1-4-7-9-11-13-14-15-17-19-21-23(25)22(24(26)27-6-3)20-18-16-12-10-8-5-2/h22-23,25H,4-21H2,1-3H3
InChIKeyUHZQLHVWEFPLHH-UHFFFAOYSA-N
XLogP7.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 57.20
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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Related Compounds

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CID 174705074
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ethyl (2R,3R)-2-amino-3-hydroxyhexadecanoate
CID 11638254
3-hydroxy-2-octyldodecanoic acid
CID 86181750
(2R,3S)-2-dodecyl-3-hydroxyhexadecanoic acid
CID 129320456
ethyl (2R,3S)-2,3-dihydroxydecanoate
CID 11107207
tert-butyl (2R,3S)-3-hydroxy-2-pentylnonanoate
CID 86645806
ethyl (2S,3S)-2-amino-3-hydroxyoctanoate;hydrochloride
CID 166438814
3-(1-hydroxyheptyl)undecan-2-one
CID 101077785
2,3-dihydroxypropyl 2-butyl-3-hydroxyoctanoate
CID 87556423
ethyl (2S,3S)-2-bromo-3-hydroxydecanoate
CID 121010928
(2R,3S)-2-hexyl-3-hydroxydecanoate
CID 129320425

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-2-octyltetradecanoate?
The IUPAC name of ethyl 3-hydroxy-2-octyltetradecanoate (CID 175541999) is ethyl 3-hydroxy-2-octyltetradecanoate.
What is the SMILES notation for ethyl 3-hydroxy-2-octyltetradecanoate?
The canonical SMILES for ethyl 3-hydroxy-2-octyltetradecanoate is CCCCCCCCCCCC(O)C(CCCCCCCC)C(=O)OCC.
What is the InChIKey of ethyl 3-hydroxy-2-octyltetradecanoate?
The InChIKey is UHZQLHVWEFPLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O3/c1-4-7-9-11-13-14-15-17-19-21-23(25)22(24(26)27-6-3)20-18-16-12-10-8-5-2/h22-23,25H,4-21H2,1-3H3.
What are the key properties of ethyl 3-hydroxy-2-octyltetradecanoate?
ethyl 3-hydroxy-2-octyltetradecanoate has a molecular weight of 384.65 g/mol, XLogP of 7.20, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-2-octyltetradecanoate is sourced from PubChem (CID 175541999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).