(3R)-3-acetyloxynonanoic acid

C11H20O4 — CID 54016264

IUPAC(3R)-3-acetyloxynonanoic acid
SMILESCCCCCC[C@H](CC(=O)O)OC(C)=O
InChIInChI=1S/C11H20O4/c1-3-4-5-6-7-10(8-11(13)14)15-9(2)12/h10H,3-8H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyKVVQPHYHAFUWLT-SNVBAGLBSA-N
MW216.28 g/mol
LogP2.36
Rot. Bonds8

About (3R)-3-acetyloxynonanoic acid

(3R)-3-acetyloxynonanoic acid (PubChem CID 54016264) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (3R)-3-acetyloxynonanoic acid.

Molecular Properties

Compound Name(3R)-3-acetyloxynonanoic acid
PubChem CID54016264
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(3R)-3-acetyloxynonanoic acid
SMILESCCCCCC[C@H](CC(=O)O)OC(C)=O
InChIInChI=1S/C11H20O4/c1-3-4-5-6-7-10(8-11(13)14)15-9(2)12/h10H,3-8H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyKVVQPHYHAFUWLT-SNVBAGLBSA-N
XLogP2.36
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.36
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

(3R,5R)-3,5-diacetyloxyhexacosanoic acid
CID 102203179
(3R,5R)-3-acetyloxy-5-[(3R,5R)-3-acetyloxy-5-[(3R,5R)-3-acetyloxy-5-[(3R,5R)-3,5-diacetyloxydecanoyl]oxydecanoyl]oxydecanoyl]oxydecanoic acid
CID 10629760
9-acetyloxyhexadecanoic acid
CID 134813994
9-acetyloxydocosanoic acid
CID 86038226
[(3S)-nonan-3-yl] acetate
CID 76967958
3-pentadecanoyloxydodecanoic acid
CID 171117414
3-icosanoyloxynonanoic acid
CID 171117466
3-tridecanoyloxyundecanoic acid
CID 171117589
3-tetradecanoyloxydodecanoic acid
CID 171117412
3-nonanoyloxydodecanoic acid
CID 171117444
(3R)-3-nonanoyloxytetradecanoic acid
CID 54008856
4-acetyloxynonanoic acid
CID 168891082

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetyloxynonanoic acid?
The IUPAC name of (3R)-3-acetyloxynonanoic acid (CID 54016264) is (3R)-3-acetyloxynonanoic acid.
What is the SMILES notation for (3R)-3-acetyloxynonanoic acid?
The canonical SMILES for (3R)-3-acetyloxynonanoic acid is CCCCCC[C@H](CC(=O)O)OC(C)=O.
What is the InChIKey of (3R)-3-acetyloxynonanoic acid?
The InChIKey is KVVQPHYHAFUWLT-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20O4/c1-3-4-5-6-7-10(8-11(13)14)15-9(2)12/h10H,3-8H2,1-2H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (3R)-3-acetyloxynonanoic acid?
(3R)-3-acetyloxynonanoic acid has a molecular weight of 216.28 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetyloxynonanoic acid is sourced from PubChem (CID 54016264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).