[(1S)-2-hydroxy-1-[(2R)-5-oxooxolan-2-yl]ethyl] tetradecanoate

C20H36O5 — CID 10522262

IUPAC[(1S)-2-hydroxy-1-[(2R)-5-oxooxolan-2-yl]ethyl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)O[C@@H](CO)[C@H]1CCC(=O)O1
InChIInChI=1S/C20H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)25-18(16-21)17-14-15-20(23)24-17/h17-18,21H,2-16H2,1H3/t17-,18+/m1/s1
InChIKeyBEHAKHOFPZFCNZ-MSOLQXFVSA-N
MW356.50 g/mol
LogP4.30
Rot. Bonds15

About [(1S)-2-hydroxy-1-[(2R)-5-oxooxolan-2-yl]ethyl] tetradecanoate

[(1S)-2-hydroxy-1-[(2R)-5-oxooxolan-2-yl]ethyl] tetradecanoate (PubChem CID 10522262) has the molecular formula C20H36O5 and a molecular weight of 356.50 g/mol. Its IUPAC name is [(1S)-2-hydroxy-1-[(2R)-5-oxooxolan-2-yl]ethyl] tetradecanoate.

Molecular Properties

Compound Name[(1S)-2-hydroxy-1-[(2R)-5-oxooxolan-2-yl]ethyl] tetradecanoate
PubChem CID10522262
Molecular FormulaC20H36O5
Molecular Weight356.50 g/mol
Exact Mass356.26
IUPAC Name[(1S)-2-hydroxy-1-[(2R)-5-oxooxolan-2-yl]ethyl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)O[C@@H](CO)[C@H]1CCC(=O)O1
InChIInChI=1S/C20H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)25-18(16-21)17-14-15-20(23)24-17/h17-18,21H,2-16H2,1H3/t17-,18+/m1/s1
InChIKeyBEHAKHOFPZFCNZ-MSOLQXFVSA-N
XLogP4.30
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-2-hydroxy-1-[(2S,4Z)-4-nonylidene-5-oxooxolan-2-yl]ethyl] nonanoate
CID 10525642
[(2R)-2-[(1S)-2-hydroxy-1-tetradecanoyloxyethyl]-4,5-dioxooxolan-3-yl] tetradecanoate
CID 54230123
(5S)-5-undecanoyloxolan-2-one
CID 10800956
[(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] hexacosanoate
CID 91258626
[(1S)-2-hydroxy-1-[(2R)-4-methyl-5-oxo-3-phenylmethoxy-2H-furan-2-yl]ethyl] hexadecanoate
CID 118358919
1-hydroxybutan-2-yl docosanoate
CID 162164384
[(1R)-2-hydroxy-1-[(2R,3R,4S)-4-hydroxy-3-sulfooxyoxolan-2-yl]ethyl] dodecanoate
CID 91168604
[(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] octadecanoate;2-methyloxirane
CID 22880258
[(1S)-1-[(2R)-6-oxooxan-2-yl]undecyl] benzoate
CID 102055325
1-chloropropyl octanoate
CID 177226407
1-hydroxypropan-2-yl henicosanoate
CID 102118706
1-hydroxypropan-2-yl octadecanoate
CID 19818079

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-hydroxy-1-[(2R)-5-oxooxolan-2-yl]ethyl] tetradecanoate?
The IUPAC name of [(1S)-2-hydroxy-1-[(2R)-5-oxooxolan-2-yl]ethyl] tetradecanoate (CID 10522262) is [(1S)-2-hydroxy-1-[(2R)-5-oxooxolan-2-yl]ethyl] tetradecanoate.
What is the SMILES notation for [(1S)-2-hydroxy-1-[(2R)-5-oxooxolan-2-yl]ethyl] tetradecanoate?
The canonical SMILES for [(1S)-2-hydroxy-1-[(2R)-5-oxooxolan-2-yl]ethyl] tetradecanoate is CCCCCCCCCCCCCC(=O)O[C@@H](CO)[C@H]1CCC(=O)O1.
What is the InChIKey of [(1S)-2-hydroxy-1-[(2R)-5-oxooxolan-2-yl]ethyl] tetradecanoate?
The InChIKey is BEHAKHOFPZFCNZ-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)25-18(16-21)17-14-15-20(23)24-17/h17-18,21H,2-16H2,1H3/t17-,18+/m1/s1.
What are the key properties of [(1S)-2-hydroxy-1-[(2R)-5-oxooxolan-2-yl]ethyl] tetradecanoate?
[(1S)-2-hydroxy-1-[(2R)-5-oxooxolan-2-yl]ethyl] tetradecanoate has a molecular weight of 356.50 g/mol, XLogP of 4.30, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-hydroxy-1-[(2R)-5-oxooxolan-2-yl]ethyl] tetradecanoate is sourced from PubChem (CID 10522262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).