(2S)-2-acetyloxy-2-hydroxypentadecanoic acid

C17H32O5 — CID 175076538

IUPAC(2S)-2-acetyloxy-2-hydroxypentadecanoic acid
SMILESCCCCCCCCCCCCC[C@](O)(OC(C)=O)C(=O)O
InChIInChI=1S/C17H32O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(21,16(19)20)22-15(2)18/h21H,3-14H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyCFGDGIVJGYGTPO-KRWDZBQOSA-N
MW316.44 g/mol
LogP4.02
Rot. Bonds14

About (2S)-2-acetyloxy-2-hydroxypentadecanoic acid

(2S)-2-acetyloxy-2-hydroxypentadecanoic acid (PubChem CID 175076538) has the molecular formula C17H32O5 and a molecular weight of 316.44 g/mol. Its IUPAC name is (2S)-2-acetyloxy-2-hydroxypentadecanoic acid.

Molecular Properties

Compound Name(2S)-2-acetyloxy-2-hydroxypentadecanoic acid
PubChem CID175076538
Molecular FormulaC17H32O5
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(2S)-2-acetyloxy-2-hydroxypentadecanoic acid
SMILESCCCCCCCCCCCCC[C@](O)(OC(C)=O)C(=O)O
InChIInChI=1S/C17H32O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(21,16(19)20)22-15(2)18/h21H,3-14H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyCFGDGIVJGYGTPO-KRWDZBQOSA-N
XLogP4.02
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-acetyloxy-2-propyloctanoic acid
CID 175290994
9-octyloctadecan-9-yl acetate
CID 87256953
13-dodecylpentacosan-13-yl acetate
CID 57064481
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
3-acetyloxyundecan-3-yl acetate
CID 138404207
2-acetamidooctan-2-yl acetate
CID 88542217
(3-hydroxy-2-oxohenicosan-3-yl) dihydrogen phosphate
CID 21125713
2,3-dihydroxy-2,3-dioctadecylbutanedioic acid
CID 87193003
(2R)-2-dodecyl-2-hydroxytricosanoic acid
CID 163058779
2-hydroxy-2-pentyloctanoic acid
CID 18462834
2,3-dihexyl-2,3-dihydroxybutanedioic acid
CID 18506288

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetyloxy-2-hydroxypentadecanoic acid?
The IUPAC name of (2S)-2-acetyloxy-2-hydroxypentadecanoic acid (CID 175076538) is (2S)-2-acetyloxy-2-hydroxypentadecanoic acid.
What is the SMILES notation for (2S)-2-acetyloxy-2-hydroxypentadecanoic acid?
The canonical SMILES for (2S)-2-acetyloxy-2-hydroxypentadecanoic acid is CCCCCCCCCCCCC[C@](O)(OC(C)=O)C(=O)O.
What is the InChIKey of (2S)-2-acetyloxy-2-hydroxypentadecanoic acid?
The InChIKey is CFGDGIVJGYGTPO-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H32O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(21,16(19)20)22-15(2)18/h21H,3-14H2,1-2H3,(H,19,20)/t17-/m0/s1.
What are the key properties of (2S)-2-acetyloxy-2-hydroxypentadecanoic acid?
(2S)-2-acetyloxy-2-hydroxypentadecanoic acid has a molecular weight of 316.44 g/mol, XLogP of 4.02, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetyloxy-2-hydroxypentadecanoic acid is sourced from PubChem (CID 175076538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).